     890
 Particles+Wannier centers. Iteration:1_0
  O         8.9468073438        3.2007079882        5.3835769660
  C        -4.8914693617        3.6570103272        5.9039157867
  H        10.0842065478        4.7067226286        6.1970600470
  H        -4.6795594955        3.0772880513        6.7625335617
  C         8.6922474234        3.7962993129        4.0810375768
  H         7.6765195165        3.3552254470        3.7700348054
  H         8.4786342493        4.8809252207        4.2589842201
  C        -3.7723243086        3.5172779509        4.8513705421
  H        -3.5841936921        2.4289620166        4.6771571192
  H        -2.8442374031        4.0216747124        5.2874576944
  C        -5.2921245683        3.6620691046        3.0856620783
  H        -5.0153785746        2.5806549928        2.8607070585
  H         9.5504966988        4.3114321510        2.1801227978
  O        -4.0385382274        4.2274634572        3.6682754325
  O         6.1400875887        3.3732961255        1.9594825491
  C         4.7100467896        3.7157122811        1.7627104005
  H         4.0816686046        2.8388704886        2.0137659487
  H         4.6120990531        4.5571018220        2.4924441195
  C         6.2848688920        2.1247812496        1.3052297626
  H         7.3919668230        1.8626377856        1.3605119385
  H         5.7352449475        1.3361944174        1.8257654188
  C         4.5232950621        4.0516369350        0.2258008817
  H         5.2408266353        4.8229557117       -0.1031372349
  H         3.4342554989        4.2257066792       -0.0001140145
  C         6.0322664677        2.2831461585       -0.2158889827
  H         6.8568398972        2.9914098488       -0.5062803145
  H         6.2474328295        1.2677934458       -0.6291475493
  O         4.7656089206        2.8052995300       -0.5795786891
  O         5.7239633675        4.4495491247        7.1296094129
  C         6.3862811811        3.2113402880        7.6005839883
  H         5.5412343815        2.4855049852        7.7306737681
  H         7.0721015706        2.8817211641        6.8025655156
  C         4.9637049305        4.9729033100        8.1783527591
  H         4.4036386179        5.8119184741        7.8589098391
  H         4.3405899323        4.2146231799        8.6481658896
  C         7.2359486087        3.5340223686        8.8103254883
  H         8.1202002182        4.0908586451        8.5341700263
  H         7.5503967557        2.5946648518        9.2555587556
  C         5.9037636849        5.3749792993        9.3064003309
  H         6.6725006450        6.1718018501        8.8359900883
  H         5.3323530508        5.8675826413      -10.0457495974
  O         6.5913792522        4.2693529793        9.8631197932
  O         4.5025333013        6.0875362485       -6.3901418552
  C         5.7728727281        5.5121246500       -6.6307308465
  H         5.6550738218        4.4261604338       -6.8407061582
  H         6.1100173967        6.0134970203       -7.5582943271
  C         3.8995097941        5.6157030378       -5.1513651439
  H         3.0434900252        6.2663981072       -5.0897944802
  H         3.7233203022        4.4843143229       -5.0550916514
  C         6.6999563830        5.7791220960       -5.5268553465
  H        -0.7195466656       -6.1959676956       -5.4400785801
  H         7.6178223559        5.1983082449       -5.5791446203
  C         4.8663928618        5.9235276305       -3.9793259698
  H        -2.4911125221       -6.0399341698       -3.8852027944
  H         4.5902341341        5.5288939823       -3.0388707750
  O         6.1373347048        5.3380711047       -4.2792066541
  O         9.5584787558        3.4986105082       -5.3284305832
  C        -5.0773181387        3.3254837255       -3.9164623901
  H        -4.4196211711        2.4440021204       -3.8700115213
  H        -4.4266004286        4.1863659478       -3.6740885604
  C        -6.1872202578        2.2680297627       -5.6299674226
  H         8.4908559677        2.3515271901       -6.6753292572
  H        -5.5790800969        1.3228032113       -5.6455118996
  C         8.9672120714        3.0485017446       -2.9036990434
  H         8.2358430574        3.8648959059       -2.9422058725
  H        -5.6503069584        3.0401764231       -1.9535730708
  C         7.7954120884        1.9148911451       -4.6107090238
  H         7.0522998109        2.7136921182       -4.5746651829
  H         7.3279881390        1.0243317024       -4.9626456350
  O         8.3764983519        1.7519918140       -3.2586421970
  O         0.2590436986       -5.4286225109        4.6787738280
  C         1.7018889959       -5.4275841289        4.4030051622
  H         2.1618336939       -6.3572585540        4.1556570394
  H         1.7917358006       -4.8660534091        3.4973019566
  C         0.0390789137       -5.8998077060        5.9855094533
  H        -1.0601097592       -5.6669799888        6.2434151466
  H         7.8101736038        6.1245850613        6.1002912002
  C         2.5737748719       -4.7328049153        5.4001897289
  H         2.4604887825       -3.6891070375        5.3038639509
  H         3.5551905970       -5.0707627069        5.2424930698
  C         0.8571997588       -5.0728037045        7.0311273831
  H         0.7241765227       -3.9914778467        6.9329562602
  H         0.5430081089       -5.3862333179        8.0100172031
  O         2.2965376768       -5.2189764210        6.8263159778
  O         1.4820381772       -6.1881170390        0.1327870888
  C         0.3877639924       -6.4557438239        0.9763273811
  H         7.5626224869        5.5241006557        0.9178136372
  H         0.6470867451       -6.2685963866        2.0785003808
  C         1.1090801389       -6.4899105987       -1.2020650080
  H         1.9015946703       -6.0559442178       -1.8145256939
  H         8.4461907048        5.5364794136       -1.4814441928
  C        -0.7826193339       -5.5218105313        0.6392313510
  H        -0.4408639307       -4.4900132298        0.8371752182
  H        -1.5405484903       -5.7140423686        1.3365983572
  C        -0.1199663350       -5.7162566889       -1.5778562346
  H         0.0992947934       -4.6149155822       -1.6131478080
  H        -0.4901281166       -5.9934231036       -2.5326012453
  O        -1.2245672981       -5.8100218043       -0.6864737782
  C         1.1943660800       -2.2512906668        1.2467125088
  O        -1.3572782205       -0.8398996159        1.3869440262
  C         1.2001576076       -0.8013240550        1.2479598734
  B        -2.6132693803       -0.2424355168        1.1640249535
  C         2.4156535140       -0.1510001329        1.1357398381
  O        -2.5932963789        1.1311560307        0.9232496557
  C         3.5648066448       -0.8969842801        1.3354407943
  C        -3.9934692922       -0.9626576649        1.0474869391
  C         3.5788803072       -2.3176957078        1.2684729072
  C        -4.0199461769       -2.3294786559        1.1200052603
  C         2.3535367176       -2.9829315274        1.1181055206
  C        -5.2574114140       -3.0220736352        1.1748227191
  B         4.9073788928       -3.1672528641        1.2283018797
  C        -6.5109480582       -2.3073415264        1.2036954310
  O        -8.9911389283       -2.5040002603        1.2940476658
  C        -6.4329243505       -0.8921984149        1.1423868233
  B        -7.7517186292       -3.1717313943        1.1780606646
  C        -5.2344595389       -0.1873434015        1.1127972255
  O        -7.7823663331       -4.5124386346        1.1222709564
  H        -5.2020626337        0.9044720185        1.0137916138
  B        -8.9766802046       -5.1948335738        1.1584193728
  H        -7.4057837331       -0.4184436178        1.0913054769
  O         4.9100851828       -4.5497746986        1.1944695929
  H        -3.0572528586       -2.8640160779        1.1912946296
  C        -1.3489222371        6.3403048779        1.0666080730
  H        -5.1235148522       -4.1450854548        1.0666050077
  C        -0.1555711479        5.6234231695        1.1692915365
  H         0.7491462236        3.6140480544        1.1124146836
  C        -0.1860967194        4.1713873534        1.0609741494
  H         0.8467763083        6.0404119431        1.2385931188
  C        -1.4258116974        3.4761759404        0.9130635206
  H        -3.5576425712        3.8227535519        0.5484375530
  C        -2.5978777707        4.1795468600        0.7271472552
  H        -3.4967899968        6.1812729630        0.6505090868
  C        -2.5793065103        5.5975749030        0.8312976513
  H         4.4916867551       -0.3417485182        1.4524414623
  B        -1.4447732745        1.8689521161        0.8953491540
  H         2.4818713259        0.9386186888        1.0461265249
  O        -0.2523869663        1.2161269031        0.9420960998
  H         2.2717814284       -4.0588767575        0.8498154244
  B        -0.1715034841       -0.1310126859        1.2019488687
  H         0.2828099886       -2.6969423425        1.3127227563
  C         5.1075178777       -1.4172261734        4.5226444564
  O         2.4727241539        0.2262842361        4.4767324980
  C         5.0331362240       -0.0111499712        4.5281129639
  B         1.3374532412        0.9237911520        4.2080624391
  C         6.2950704649        0.6665717134        4.7662031691
  O         1.5554694223        2.2677737301        3.9853563052
  C         7.4833424350        0.0044858522        4.7251776986
  C        -0.0646699249        0.2162781154        4.2723548553
  C        -7.5225446863       -1.4230797362        4.5658531788
  C        -0.0087713442       -1.1080728543        4.5323953408
  C        -8.7418506968       -2.1048689437        4.3824750651
  C        -1.1896874592       -1.9263786925        4.6524481143
  B        -6.1371016223       -2.0983958818        4.4926230792
  C        -2.4273255310       -1.2851455499        4.4887334153
  O        -4.9494321804       -1.4029572779        4.2795168624
  C        -2.4692844775        0.0257705549        4.1335324677
  B        -3.7155447087       -2.1283836596        4.3872256205
  C        -1.2660545357        0.7951942677        4.0470266382
  O        -3.7399715666       -3.4771612270        4.4695148501
  H        -1.3754419526        1.8770676129        3.8558285381
  B        -4.9560911328       -4.1631688671        4.4997146183
  H        -3.4374248106        0.5740378747        4.0184113794
  O        -6.0768959228       -3.4569350776        4.7262145275
  H         0.9119683089       -1.6885288016        4.6484163134
  C        -4.9091671082       -5.7475433377        4.4960033844
  H        -1.1538694097       -2.9843718022        4.7726306810
  C        -3.7233773493       -6.4577980445        4.7896361649
  H         4.7841727423        4.6372986669        4.7934677233
  C         3.8811442539        5.2274851512        4.7256521938
  H        -2.8601661058       -5.8948932692        5.1251906192
  C         2.7134992656        4.5013707982        4.4225976134
  H         0.7307823209        4.6712034286        3.7847581695
  C         1.5948953556        5.2065865654        4.1419586446
  H        -6.8827274163       -5.8899106134        3.7209116916
  C        -6.0440031331       -6.5024573181        4.0899418888
  H        -6.7373641050        0.5124663354        5.0441291120
  B         2.7306061904        2.9361954465        4.4143760194
  H         6.2582648014        1.7253441767        4.8737481823
  O         3.8273016303        2.2076157247        4.7519320691
  H        -8.7717132701       -3.1854823747        4.1295318312
  B         3.7178682930        0.8097261355        4.5167582206
  H         4.2892516686       -2.1342078963        4.6589313621
  C         2.7778117656       -1.5885601754        8.0141080247
  O         0.2697002885       -0.0487086851        7.8587561132
  C         2.7983592021       -0.1077497579        7.9489562352
  B        -0.9739642068        0.5332362419        7.5792216493
  C         4.0699755708        0.4791726259        7.9533178375
  O        -0.9301148419        1.8690694790        7.2783637868
  C         5.2038796928       -0.2638559953        7.8511029073
  C        -2.2425981930       -0.2768921109        7.7042140315
  C         5.2048516192       -1.6528735111        7.8718507426
  C        -2.2398371063       -1.7180331319        7.8898717011
  C         3.9045576231       -2.3315201649        7.9570102989
  C        -3.4513128917       -2.3922994780        7.9393942513
  B        -8.4523760758       -2.3799428634        7.7923825038
  C        -4.7043448224       -1.7149775424        7.8171179242
  O        -7.2016682093       -1.7493391295        7.7153412606
  C        -4.7467706569       -0.2608024583        7.7537736575
  B        -6.0673797468       -2.4968170003        7.7238156066
  C        -3.4895385031        0.3577782386        7.7065501129
  O        -6.0839302035       -3.8907843552        7.8068433763
  H        -3.3876352712        1.4540532823        7.7561084493
  B        -7.2855871382       -4.4483290461        7.7948238908
  H        -5.6044201841        0.3784232530        7.6814155410
  O        -8.4721078568       -3.7345339676        7.7168926180
  H        -1.2755480169       -2.2056438607        8.0344805230
  C        -7.3884850245       -6.0070266170        7.7197579324
  H        -3.3766208226       -3.5006813073        8.0514739191
  C         1.3301600620        6.2900006615        7.6627339905
  H         2.3068054817        4.3988593630        7.5604650517
  C         1.3490954589        4.9578076652        7.6436706509
  H        -5.2548707094       -6.3529261026        7.5836796265
  C         0.1717413434        4.1798259463        7.7115969382
  H        -2.0296328122        4.3751933019        7.8861913126
  C        -1.0399971233        4.8986896340        7.7599967354
  H        -9.6177066950       -6.2439031291        7.6807727945
  C        -1.0589620632        6.3332868156        7.7104242255
  H         6.2172457721        0.2116892797        7.7931105959
  B         0.1665010312        2.6119558068        7.6354780423
  H         4.2228962116        1.5660833351        8.0669561860
  O         1.4199072700        2.0362010418        7.8827835375
  H         3.7847185883       -3.4042601677        7.8894145567
  B         1.4560368732        0.6750417189        7.8804951957
  H         1.7710997156       -2.0892796506        7.8913961845
  C         4.0469240404       -0.3169276623       -9.0697222386
  O         1.5406965075        1.0080863397       -8.7340474651
  C         4.0656144332        1.0569774522       -8.8379955545
  B         0.3722534337        1.5820746708       -9.0417040223
  C         5.2914743398        1.7031320395       -8.7606537262
  O         0.2542237037        3.0063289916       -9.1901655726
  C         6.5375371856        1.0057795133       -8.8813424354
  C        -0.9137210649        0.6664871826       -9.1152953909
  C         6.5004413263       -0.3662379515       -9.0969057962
  C        -1.0534071880       -0.6970370216       -8.9553384819
  C         5.2178694783       -1.0304002460       -9.0628033140
  C        -2.2215438677       -1.4356291777       -9.0052239146
  B        -7.2573869748       -1.1985561172       -9.2459118423
  C        -3.4474588874       -0.7198697026       -9.0628984904
  O        -6.0236435998       -0.5543956593       -9.1246711784
  C        -3.3328201924        0.6670228450       -9.3011729426
  B        -4.8227227769       -1.3647979974       -9.0979787297
  C        -2.1186806387        1.3317314670       -9.3695195009
  O        -4.8767668274       -2.7700588874       -9.1931252865
  H        -2.0745573227        2.3447934359       -9.5751368720
  B        -6.1574822265       -3.3905734067       -9.2513645155
  H        -4.2036224222        1.2672259801       -9.4342509966
  O        -7.3239132578       -2.5810800001       -9.2934488441
  H        -0.0975186268       -1.1966388538       -8.6373784511
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  H        -2.2458826944       -2.5730137118       -8.7845105867
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  H         3.5084996746        5.4511565393       -9.0562274956
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  H        -4.0720951048       -5.1183987678       -9.4641285445
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  H        -0.7826007047        5.5240169380       -9.2042336606
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  H        -8.3144334966       -5.0634934767       -9.5708148176
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  H         7.4891148551        1.4874131132       -8.9082151361
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  H         5.3552430065        2.8172404854       -8.6483184862
  O         2.5769590833        3.0974448526       -9.0075311622
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  H         3.0427513925       -0.7631551778       -9.0925080652
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  O        -1.2555868986       -2.1410493110       -5.5746367356
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  O        -2.5200714509       -0.0460196960       -5.5087137308
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  C         3.6922488067       -3.6922795283       -6.0936188698
  C        -3.8381140783       -3.5426472001       -6.0161227920
  C         2.4981801249       -4.3480192273       -5.7642635755
  C        -5.0528353042       -4.2261913173       -6.1974055823
  B        -9.9889626150       -4.4058190677       -6.1486117186
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  O        -8.8335055076       -3.6982355347       -6.2595251104
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  O        -7.6280961166       -5.7254990885       -5.9717610444
  H        -5.0997255445       -0.4792552046       -5.3624566634
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  H        -7.2480548625       -1.4881931627       -5.8852153207
  O       -10.0132922872       -5.7865834785       -6.1624780010
  H        -2.9403906682       -4.1798871017       -6.2153927602
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  H        -5.1047409768       -5.2849012788       -6.4939499199
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  H        -3.3205637656        2.3583698914       -5.9845885467
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  X         5.5266979102        4.3627271112        6.9145665714
     890
 Particles+Wannier centers. Iteration:1_0
  O         8.9592466148        3.2028119640        5.3820288026
  C        -4.8859691575        3.6463369052        5.9100399699
  H        10.1585195984        4.6786925295        6.2132426122
  H        -4.7296695788        3.0810874523        6.7657053085
  C         8.6888718721        3.7864109762        4.0868012641
  H         7.7620796777        3.3938694565        3.7849208977
  H         8.5708917342        4.8493936170        4.2812188801
  C        -3.7637031101        3.5228668276        4.8634244183
  H        -3.5370072595        2.4038919247        4.6711057430
  H        -2.8870906147        4.0451944198        5.3637237800
  C        -5.2895871772        3.6578871696        3.0856245538
  H        -5.0033215585        2.6319697639        2.8097345974
  H         9.5945171645        4.2933341569        2.2074520832
  O        -4.0567765822        4.2169629445        3.6662932854
  O         6.1325522681        3.3710076420        1.9646417377
  C         4.7120390847        3.6919563151        1.7684634870
  H         4.0407802913        2.7877473455        2.0199388942
  H         4.6454014919        4.5194803661        2.5166337340
  C         6.2708885744        2.1238469579        1.3073883443
  H         7.3368089459        1.8682337648        1.3856247979
  H         5.7481231660        1.3598685463        1.8741537389
  C         4.5237340895        4.0373386943        0.2459593303
  H         5.2018097445        4.8434429733       -0.0460412688
  H         3.4453845435        4.3129799066       -0.0063936759
  C         6.0340914044        2.2811404616       -0.2041736106
  H         6.8408932483        3.0097088213       -0.5652800093
  H         6.2074949902        1.3225214388       -0.6877518174
  O         4.7686563348        2.8125850193       -0.5848585181
  O         5.7326682477        4.4485836768        7.1297667759
  C         6.3925608030        3.2092186828        7.6268287611
  H         5.5452935406        2.4986351269        7.6745187717
  H         7.0885885286        2.9251682074        6.8262441004
  C         4.9642443759        4.9661080862        8.1937631682
  H         4.3587046819        5.8396212213        7.8947800996
  H         4.3111975478        4.1682182106        8.6442291842
  C         7.2296762334        3.5442319046        8.8020358922
  H         8.1473411935        4.1521013770        8.6084021331
  H         7.5591019922        2.6052394584        9.2294185145
  C         5.8982134636        5.3744297534        9.2934176084
  H         6.6482324400        6.1142817635        8.8200408381
  H         5.3440327837        5.8530044261      -10.0515722058
  O         6.5961887268        4.2699595400        9.8495506234
  O         4.5083943257        6.0832578657       -6.3935203557
  C         5.7845021483        5.4903635452       -6.6194881924
  H         5.6760577975        4.4010539267       -6.7982859290
  H         6.1518737866        6.0020518357       -7.4828167905
  C         3.8951652312        5.6080705339       -5.1346980123
  H         2.9893608631        6.2990737673       -5.1086344197
  H         3.6939061190        4.5545883675       -5.0409723079
  C         6.6850098148        5.7820723593       -5.5212621189
  H        -0.6461073225       -6.2289405416       -5.3821639804
  H         7.6372983159        5.1486184989       -5.6269698457
  C         4.8925260217        5.9063108537       -3.9899543354
  H        -2.5351218660       -6.0035379386       -3.9108300284
  H         4.5940172415        5.4824989486       -3.0147788231
  O         6.1403491209        5.3512507071       -4.2551202853
  O         9.5641980065        3.4970484345       -5.3194788506
  C        -5.0914677676        3.3293581535       -3.9212587458
  H        -4.3944441947        2.3939928898       -3.8836593128
  H        -4.4050247553        4.2246825608       -3.7261294868
  C        -6.2076092708        2.2568787978       -5.6443405480
  H         8.5370393032        2.2952841617       -6.6221867526
  H        -5.6010942433        1.3011249697       -5.6773049217
  C         8.9472215318        3.0393584703       -2.8940475718
  H         8.1943418056        3.8460321249       -2.9845928612
  H        -5.6509311170        3.0648918165       -1.9256037664
  C         7.7963844452        1.9407499832       -4.6074082037
  H         6.9988521483        2.7078634100       -4.5415325224
  H         7.3505619046        1.0035128833       -4.9763946093
  O         8.3724253176        1.7384629021       -3.2666311004
  O         0.2508668903       -5.4352751670        4.6897154565
  C         1.7038852592       -5.4147579401        4.4081806353
  H         2.1894841985       -6.3655009134        4.1292458545
  H         1.8321152184       -4.9159651927        3.4858813475
  C         0.0484187754       -5.8833938008        6.0088591681
  H        -1.0210234597       -5.6745317412        6.2376407857
  H         7.8332940059        6.1244612355        6.1000276840
  C         2.5792690562       -4.7411354945        5.3748649442
  H         2.3429807963       -3.6613168413        5.3725517889
  H         3.5675053909       -5.1050067488        5.2150411600
  C         0.8682107531       -5.0789405878        7.0467854472
  H         0.7369449753       -3.9675771573        6.9072100894
  H         0.5588721318       -5.4346566080        8.0967779043
  O         2.2844088049       -5.2210858360        6.8078359357
  O         1.4864025321       -6.1825935678        0.1357495603
  C         0.3964679728       -6.4711839539        0.9757017044
  H         7.5587302912        5.5818661735        0.9517508627
  H         0.7174314552       -6.2733245449        2.0834612343
  C         1.1207944144       -6.5004463913       -1.2217401628
  H         1.8597875084       -6.0605827177       -1.8509154705
  H         8.4198302950        5.5186199328       -1.4251590282
  C        -0.7874858414       -5.5207181948        0.6401838147
  H        -0.4676167508       -4.4675252564        0.8039112388
  H        -1.6141424385       -5.6825129730        1.3375404505
  C        -0.1147257016       -5.6755793487       -1.5670057079
  H         0.1373614696       -4.6045893586       -1.6105947570
  H        -0.5445401691       -6.0050942979       -2.5318579462
  O        -1.2085195779       -5.8183117684       -0.6760295507
  C         1.2053397180       -2.2489249027        1.2546426122
  O        -1.3533047280       -0.8471701707        1.3725100439
  C         1.2037040109       -0.8175353786        1.2401907998
  B        -2.5949668603       -0.2330743669        1.1573144847
  C         2.4099540988       -0.1423229101        1.1367756748
  O        -2.6077372729        1.1382116431        0.9271217816
  C         3.5728170935       -0.9174088373        1.3427615436
  C        -4.0083646837       -0.9610208233        1.0554062829
  C         3.5699024795       -2.3181696568        1.2672384281
  C        -4.0229958886       -2.3453728369        1.1234115120
  C         2.3515816042       -2.9822675922        1.1213085161
  C        -5.2476687794       -3.0215842420        1.1456420262
  B         4.9009463784       -3.1630029547        1.2321450295
  C        -6.4982595403       -2.3030532132        1.2027765295
  O        -8.9833162372       -2.4857534566        1.2812378895
  C        -6.4531085619       -0.8877199069        1.1431119563
  B        -7.7545032687       -3.1750717076        1.1713239213
  C        -5.2373605723       -0.1769827781        1.1256630007
  O        -7.7830066615       -4.5103733657        1.1185746053
  H        -5.2095671789        0.8978334975        0.9921631210
  B        -8.9857138115       -5.2043218738        1.1804015568
  H        -7.4118713289       -0.3446510194        1.0873238201
  O         4.9101592124       -4.5553499862        1.2095892728
  H        -3.0964012375       -2.9216412097        1.1398703199
  C        -1.3460732203        6.3483267083        1.0795328340
  H        -5.1315212529       -4.1312382417        1.0932430770
  C        -0.1450407726        5.6072280067        1.1558434746
  H         0.7642562906        3.5550975580        1.1100853500
  C        -0.1963385158        4.1653916281        1.0552074353
  H         0.8357870620        6.0587896193        1.2803380227
  C        -1.4098227096        3.4764535648        0.9193999418
  H        -3.5651016754        3.7930185826        0.5246957784
  C        -2.5923140209        4.1889310654        0.7276929763
  H        -3.4728805422        6.2006943890        0.6768964142
  C        -2.5718516324        5.6141312903        0.8393703619
  H         4.5214533177       -0.3663341411        1.4644158054
  B        -1.4609957486        1.8719062860        0.8822198213
  H         2.5277477466        0.9577728673        1.0626670513
  O        -0.2489954291        1.2154646022        0.9492782450
  H         2.3218664398       -4.0394408170        0.7973304390
  B        -0.1848160161       -0.1202403603        1.1921319543
  H         0.2268183586       -2.7418004314        1.3117256694
  C         5.1046925077       -1.4258934995        4.5022876164
  O         2.4780123241        0.2260392155        4.4741118016
  C         5.0428199607        0.0047660371        4.5214150063
  B         1.3458611508        0.9383351714        4.1889944933
  C         6.2832557419        0.6650025836        4.7614516534
  O         1.5494719930        2.2567239155        3.9840240524
  C         7.4672919954       -0.0048292567        4.7214682383
  C        -0.0856765278        0.2054810157        4.2561081062
  C        -7.5376053877       -1.4171303545        4.5588854930
  C        -0.0065793019       -1.1167764446        4.5426086391
  C        -8.7535706934       -2.0855354125        4.3902307554
  C        -1.1957704822       -1.8947962507        4.6353915747
  B        -6.1332204083       -2.0662861668        4.4958497251
  C        -2.4200047937       -1.2796253192        4.4962189615
  O        -4.9536965972       -1.4105005162        4.2601582535
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  B        -3.7460849687       -2.1322395575        4.4016315179
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  O        -3.7398330202       -3.4866194305        4.4552490627
  H        -1.2982590965        1.9053113560        3.8125306885
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  H        -3.4495045371        0.5627328087        4.0600700968
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  H        -2.8512215848       -5.9360622186        5.1071819766
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  H        -6.8940139809       -5.8957673498        3.7786947869
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  H        -8.8075735648       -3.1255458893        4.1434334428
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  H         4.2500306269       -2.0709368409        4.6364572003
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  C        -2.2420671160       -1.7291859683        7.8904902431
  C         3.9117961795       -2.3200457318        7.9711902055
  C        -3.4567658626       -2.3842547398        7.9327009092
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  H        -3.4463500474        1.4243261082        7.8109599484
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  H        -3.3824750914       -3.4688151869        8.0964560957
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  X        -1.2678843026       -6.1158505614       -0.6634039780
  X        -4.1259656690        4.5020007194        3.7582601584
     890
 Particles+Wannier centers. Iteration:1_0
  O         8.9729990996        3.2026999379        5.3790249586
  C        -4.8814001723        3.6396686236        5.9053505791
  H        10.2156891826        4.7025052112        6.2343497917
  H        -4.7503473636        3.0155289186        6.8541637753
  C         8.6906918574        3.7781390064        4.0983201885
  H         7.7789303240        3.3969453228        3.7651621925
  H         8.6531248311        4.8508893940        4.2898454325
  C        -3.7504124819        3.5270454940        4.8832497397
  H        -3.4965298815        2.4562350795        4.6791044192
  H        -2.9476309550        4.0291931557        5.3960603352
  C        -5.2815034588        3.6564736979        3.0873788092
  H        -5.0212595307        2.6709482512        2.7452536823
  H         9.6346550956        4.2601955231        2.2351675402
  O        -4.0778718122        4.2052584177        3.6644918463
  O         6.1206843873        3.3652196181        1.9711864913
  C         4.7171986364        3.6712350475        1.7723226231
  H         4.0374468927        2.7980871755        2.0211979917
  H         4.6255983348        4.4712049609        2.4926381445
  C         6.2640343546        2.1250744215        1.3067881617
  H         7.2970136021        1.8630266196        1.4182249592
  H         5.7234374741        1.3591694474        1.9096778216
  C         4.5175811362        4.0177023698        0.2665093115
  H         5.1771168706        4.8671174771        0.0036887480
  H         3.5155953402        4.3931335760        0.0144229282
  C         6.0395539150        2.2814608118       -0.1906162888
  H         6.7977553950        2.9881363961       -0.6079655429
  H         6.1516865034        1.3672038101       -0.7697725697
  O         4.7707608288        2.8221090652       -0.5850421205
  O         5.7425029824        4.4465575257        7.1275893380
  C         6.3962756184        3.2142306715        7.6433905160
  H         5.5872797728        2.5026623134        7.6627522678
  H         7.0983347744        2.9655725491        6.8367890443
  C         4.9632247117        4.9576880287        8.2132004237
  H         4.3200177877        5.8523291196        7.9121738082
  H         4.2711747027        4.1470495370        8.6186942087
  C         7.2290731701        3.5539420213        8.7974389856
  H         8.1638689475        4.1880093929        8.6368561371
  H         7.5822747917        2.5871602419        9.2209563849
  C         5.8975831639        5.3805090677        9.2804449532
  H         6.5943785693        6.0272738535        8.8442392428
  H         5.3715713913        5.8398404911      -10.0630889781
  O         6.5979410600        4.2682645150        9.8358926199
  O         4.5117534250        6.0757379419       -6.3937544790
  C         5.7917340682        5.4680826221       -6.6130382498
  H         5.7020383270        4.3844174410       -6.7605372897
  H         6.2172291219        5.9891592529       -7.4757484548
  C         3.8936899669        5.6142603712       -5.1185443899
  H         2.9716071854        6.2657762507       -5.1015270072
  H         3.6365474601        4.5802788278       -5.0727594781
  C         6.6820361990        5.7807914489       -5.5080347784
  H        -0.5665524340       -6.2471759780       -5.3481136147
  H         7.6147693858        5.1566912095       -5.6711081514
  C         4.9144419298        5.8994776030       -3.9993530899
  H        -2.5984049487       -6.0478665915       -3.9268422684
  H         4.5882987870        5.4474650834       -2.9980953027
  O         6.1466054001        5.3596926814       -4.2302363201
  O        -5.5299403911        3.4920377182       -5.3069888375
  C        -5.0928818139        3.3310526543       -3.9284881385
  H        -4.4096204802        2.4115342455       -3.9099121289
  H        -4.4456522669        4.2237803720       -3.7780584968
  C        -6.2278909042        2.2433927578       -5.6491500549
  H         8.5295529452        2.2695041929       -6.6645006329
  H        -5.5903936278        1.3386341557       -5.6819283910
  C         8.9267645262        3.0322890889       -2.8923102531
  H         8.1308211052        3.8062535035       -3.0026780444
  H        -5.6644674199        3.0536593958       -1.8740003326
  C         7.7978330820        1.9664612984       -4.6048536287
  H         6.9546350520        2.7051222235       -4.5112947895
  H         7.3693362747        0.9748258405       -4.9522193239
  O         8.3672325108        1.7286586491       -3.2750688798
  O         0.2496462197       -5.4410436341        4.6979750910
  C         1.7016544612       -5.4060772268        4.4089086344
  H         2.1742927108       -6.4177300623        4.1336392702
  H         1.8554951532       -4.9069158781        3.4076581279
  C         0.0551757925       -5.8639202355        6.0378812458
  H        -0.9723846407       -5.7005834137        6.2320264291
  H         7.8484576317        6.1158193395        6.1088360376
  C         2.5761332937       -4.7508809343        5.3648501224
  H         2.2665421658       -3.6268655854        5.4404544883
  H         3.6441290725       -5.1143556514        5.1833750837
  C         0.8817010567       -5.0841454167        7.0607413075
  H         0.6984641697       -3.9741703153        6.9019215823
  H         0.6221170726       -5.4500461243        8.1209292454
  O         2.2728699986       -5.2242775691        6.7861532503
  O         1.4920894509       -6.1805193747        0.1371882471
  C         0.4003342810       -6.4789567279        0.9890228625
  H         7.5686170029        5.6107015835        0.9677147012
  H         0.7686886021       -6.2951259246        1.9925581242
  C         1.1261529144       -6.5040881705       -1.2398349018
  H         1.8920885777       -6.0803483663       -1.9177011582
  H         8.4259997734        5.4994870483       -1.3456478134
  C        -0.7872283929       -5.5235276186        0.6456839017
  H        -0.4995550330       -4.4511620049        0.7497068929
  H        -1.7119735208       -5.6673538494        1.3398756469
  C        -0.1115137687       -5.6358122955       -1.5617332210
  H         0.1898452816       -4.5903746993       -1.6136286670
  H        -0.5713054761       -6.0057469898       -2.5364826976
  O        -1.1950136724       -5.8262641986       -0.6652511713
  C         1.2102154874       -2.2424461588        1.2610755397
  O        -1.3521462929       -0.8558570336        1.3557636754
  C         1.2029332477       -0.8388064446        1.2307412025
  B        -2.5796949494       -0.2239982050        1.1489741737
  C         2.4116062860       -0.1341188652        1.1425569482
  O        -2.6244992393        1.1467617420        0.9311632359
  C         3.5832440507       -0.9331795832        1.3465958352
  C        -4.0209014191       -0.9504304435        1.0694495182
  C         3.5670926491       -2.3207844580        1.2668255582
  C        -4.0298859684       -2.3624800237        1.1258622626
  C         2.3508441252       -2.9851982087        1.1230257647
  C        -5.2366139695       -3.0196274391        1.1156715665
  B         4.8956658479       -3.1543545771        1.2365131154
  C        -6.4749132597       -2.3039193277        1.1979115280
  O        -8.9750513743       -2.4683221207        1.2663182919
  C        -6.4741812306       -0.8810316642        1.1432249772
  B        -7.7658341018       -3.1673533357        1.1673973893
  C        -5.2363626804       -0.1767774355        1.1339110039
  O        -7.7823531878       -4.5133661860        1.1161045748
  H        -5.2119283432        0.8981615194        0.9825691232
  B        -8.9906520375       -5.2150670642        1.1990210596
  H        -7.4034094108       -0.2796084886        1.0965097278
  O         4.9077540268       -4.5601796311        1.2257888675
  H        -3.1370885212       -2.9730914368        1.0802820425
  C        -1.3479535830        6.3470733743        1.0917688103
  H        -5.1881777653       -4.0831110602        1.1284303754
  C        -0.1370088979        5.5829916920        1.1402243687
  H         0.7218269560        3.5423794603        1.1127778540
  C        -0.2014708289        4.1649535186        1.0508891686
  H         0.8245937868        6.0968247802        1.3206785868
  C        -1.3950481266        3.4685349697        0.9230292917
  H        -3.5962854604        3.7173935346        0.5003016291
  C        -2.5850527975        4.2131519353        0.7317927248
  H        -3.4623813490        6.2175159652        0.7103167056
  C        -2.5592144964        5.6278595764        0.8455253876
  H         4.5390401165       -0.4166225585        1.4673585454
  B        -1.4721915413        1.8818794638        0.8724809902
  H         2.5506575893        0.9476733855        1.0776087025
  O        -0.2440501104        1.2183835164        0.9544524516
  H         2.3692761112       -4.0067139231        0.7787722485
  B        -0.1982380866       -0.1122437028        1.1834804403
  H         0.1703400001       -2.7876497307        1.3051140078
  C         5.1060004950       -1.4310548245        4.4810656105
  O         2.4864255622        0.2226328297        4.4714730989
  C         5.0545816628        0.0159781437        4.5189959164
  B         1.3475491689        0.9501632180        4.1723160819
  C         6.2645394375        0.6679329127        4.7521924447
  O         1.5439525847        2.2520641515        3.9826048667
  C         7.4567356540       -0.0180292166        4.7243178306
  C        -0.0866182237        0.2025412387        4.2380457708
  C        -7.5535249066       -1.4044392054        4.5509464826
  C        -0.0126085565       -1.1407915597        4.5533243076
  C         6.3308808498       -2.0643836773        4.3979465707
  C        -1.1923926547       -1.8612750477        4.6183768495
  B        -6.1300856238       -2.0405179362        4.4982438574
  C        -2.4198113597       -1.2793300826        4.5009266780
  O        -4.9577473793       -1.4183226042        4.2418420447
  C        -2.4692096310        0.0770577392        4.1171687920
  B        -3.7770822113       -2.1279133323        4.4172578008
  C        -1.2884143024        0.8261547712        4.0327199899
  O        -3.7378220209       -3.4978752932        4.4394112910
  H        -1.2326263227        1.8902257285        3.7778148059
  B        -4.9271574248       -4.1985246062        4.5466817266
  H        -3.4372119156        0.5290659496        4.0912261083
  O        -6.0828265968       -3.4847621013        4.7117167443
  H         0.9707222393       -1.6111466478        4.5918650324
  C        -4.8829794746       -5.7583415770        4.4749853386
  H        -1.1318542089       -2.9619489061        4.7911825272
  C        -3.7044439589       -6.4944757143        4.8178494219
  H         4.7600183490        4.5087789811        4.8609038135
  C         3.9017627507        5.2007825504        4.6915438045
  H        -2.7989269309       -5.9490765306        5.0917851432
  C         2.7240798110        4.4828580144        4.4633130687
  H         0.7459076389        4.6363773413        3.6560076574
  C         1.5854058210        5.2290485491        4.0845007179
  H        -6.9367011336       -5.9218765358        3.8312185001
  C        -6.0328264915       -6.4609001145        4.0576758357
  H        -6.6994599177        0.5046867235        5.0264099340
  B         2.7302248761        2.9077148018        4.4383995874
  H         6.2116886816        1.7734373254        4.9092816438
  O         3.8141647034        2.1941513175        4.7897669342
  H        -8.8260090942       -3.1121524632        4.1786698324
  B         3.7294850528        0.8215139358        4.5335159676
  H         4.1752359126       -1.9959327867        4.5895343551
  C         2.7592362158       -1.5608601430        8.0265043874
  O         0.2672831012       -0.0414356159        7.8684231619
  C         2.8138345185       -0.1362864349        7.9264086674
  B        -0.9401564413        0.5663648045        7.5842945860
  C         4.0591207353        0.5040554198        7.9529026076
  O        -0.9612409000        1.8826982531        7.2591108100
  C         5.2382503350       -0.2571757268        7.8386984551
  C        -2.2345682190       -0.3033498975        7.6735788186
  C         5.2307551184       -1.6834594286        7.8809461223
  C        -2.2392437388       -1.7304073628        7.8877636596
  C         3.9313515976       -2.3073286210        7.9823519173
  C        -3.4640220477       -2.3767055187        7.9265502797
  B        -8.4531574066       -2.3749952680        7.8506166278
  C        -4.6961068480       -1.6722398342        7.8173699312
  O        -7.2210676694       -1.7625145388        7.7480985388
  C        -4.6908185128       -0.2525315407        7.7857053723
  B        -6.0781873664       -2.5048575779        7.7479831296
  C        -3.4650934342        0.3636570399        7.7250386969
  O        -6.0547997041       -3.8826706402        7.8092309472
  H        -3.5029939770        1.4390073464        7.8440817504
  B        -7.3603442550       -4.4713058153        7.7456536402
  H        -5.6620862596        0.3029069622        7.7004809965
  O        -8.4890602161       -3.7059923411        7.7181772135
  H        -1.2887783290       -2.2898263172        7.9489547127
  C        -7.3732940621       -6.0181327592        7.7403150545
  H        -3.4221413659       -3.4306843473        8.1317483219
  C         1.3440129367        6.2996238320        7.6745947403
  H         2.3245947666        4.4404761024        7.3890010589
  C         1.3648028304        4.9031046543        7.6347887120
  H        -5.2161983199       -6.2334893977        7.6904954914
  C         0.1491109204        4.1715305028        7.6923950727
  H        -2.0057597159        4.4346101624        7.9061411380
  C        -1.0609593249        4.9213960808        7.7529790304
  H        -9.6015449252       -6.3552231859        7.7533372323
  C        -1.0586855258        6.3340071156        7.6916659122
  H         6.1508371292        0.2991162462        7.9228895186
  B         0.1824452188        2.6043101218        7.6535219684
  H         4.1236325046        1.5789826178        7.9481489043
  O         1.4162188012        2.0518058431        7.8699090806
  H         3.8674236464       -3.4037732412        7.9701752204
  B         1.4683929774        0.6591568596        7.8975994276
  H         1.8134553042       -2.0592198123        7.9611026844
  C         4.0367508493       -0.3296933515       -9.0722301195
  O         1.5394977822        1.0033916504       -8.7088407167
  C         4.0620148979        1.0754592405       -8.8349039840
  B         0.3575708525        1.6080488629       -9.0660499503
  C         5.2941876590        1.6997849068       -8.7456683512
  O         0.2517504383        2.9986663229       -9.2100785157
  C         6.5323834325        0.9929594866       -8.8871689472
  C        -0.9077707103        0.6434687348       -9.1170110474
  C         6.5263016479       -0.3795804935       -9.1147035207
  C        -1.0186650650       -0.7449954908       -8.9686439212
  C         5.2660944981       -1.0308732997       -9.0545434229
  C        -2.2230074910       -1.3990444807       -9.0333271457
  B        -7.2915104893       -1.1686290555       -9.2680097638
  C        -3.4383215007       -0.7372872478       -9.0910930300
  O        -6.0277580079       -0.6107808630       -9.0842529226
  C        -3.3415466454        0.6814265233       -9.2718552416
  B        -4.8436769113       -1.3849752941       -9.1209761989
  C        -2.1262518413        1.3144002615       -9.3332883755
  O        -4.8867658745       -2.7316453189       -9.2112760347
  H        -2.1078935666        2.4543568074       -9.5334145199
  B        -6.1377258626       -3.3633544281       -9.2210595316
  H        -4.3002159160        1.2813988715       -9.3808201175
  O        -7.3117675081       -2.5718926921       -9.2671987671
  H        -0.1572589017       -1.3148107677       -8.7024534394
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  H        -2.2347571463       -2.4382834243       -8.8366951116
  C        -4.9972227411       -5.6387574916       -9.2753135563
  H         3.4862089541        5.4686348374       -9.0037288830
  C         2.6048715981        6.0781718552       -9.0997089321
  H        -4.1203327110       -5.0366161616       -9.4536000798
  C         1.4198088166        5.2946181187       -9.0737696409
  H        -0.7138403412        5.4203544152       -9.2607775191
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  H        -8.2898309296       -5.1804694060       -9.5862758473
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  H         7.5131115499        1.5289294207       -8.8267097584
  B         1.4019457267        3.7766855603       -9.0674572128
  H         5.3001537990        2.7474341359       -8.5405112235
  O         2.6043959858        3.0953764761       -9.0183077607
  H         5.2624878045       -2.1273368756       -9.1806307022
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  H         3.0760195087       -0.8350218475       -9.1482991782
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  O        -1.2416515427       -2.1633596346       -5.6054561265
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  O        -2.5017257977       -0.0332424737       -5.5438667988
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  C        -3.8612304010       -2.1932706436       -5.7559158550
  C         3.6672165288       -3.6632615795       -6.0906181759
  C        -3.8410045697       -3.5546412825       -6.0238240578
  C         2.4638894525       -4.3131417817       -5.7720698568
  C        -5.0993723202       -4.2390325634       -6.2238305463
  B       -10.0105278638       -4.4109865544       -6.1978088387
  C        -6.2902431702       -3.5294616662       -6.0312950700
  O        -8.8519424625       -3.7110908574       -6.2918846267
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  O        -7.6213732671       -5.7368657234       -5.9835956123
  H        -5.1221878743       -0.4174586450       -5.4608284619
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  H        -7.1609358101       -1.6239146916       -5.8325264079
  O        -9.9900630518       -5.7724897859       -6.1653412844
  H        -2.9792077547       -4.1499384697       -6.2320292933
  C        -1.1440272484        4.9984221245       -6.0588843717
  H        -4.9808572535       -5.3143411128       -6.3826510232
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  H         1.0196839464        2.3891981302       -5.8945070529
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  H         1.0470479798        4.9022603398       -5.9815513752
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  H        -3.3315876656        2.3672180111       -5.9677589755
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  X        -3.2747641709       -1.8656664275       -5.6735057590
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  X         8.7534093624        3.3131975644        5.5615179554
  X        -0.0460164060        3.6259109381       -6.1900447412
  X         4.7178333745        1.3497621482       -9.0863249181
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  X         0.4989813725       -6.0848008755       -1.3910851332
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  X        -5.2701012391        3.5032041181       -5.4664096347
  X         4.7437860713       -2.5851356138       -2.1397008027
  X        -5.5159740254       -6.2256871537        4.5327808518
  X        -0.7913404325        5.9397789012        0.8244269320
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  X         4.6016295754        3.8471041309        1.0220806937
  X         1.9918942359       -6.0886093680        4.2611618971
  X        -1.6785352238        4.5389085773       -6.3501696558
  X         5.1412465253       -0.9874366250        7.5826294944
  X        -5.6295032616       -1.9363162561       -5.4686302874
  X        -4.1529565941        4.4925922923        3.7504213151
  X        -3.2921716321       -0.0785884334       -9.4381276769
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  X         5.7706992998       -1.6139398500        4.1750552798
  X        -0.1604181155       -0.5120433356        4.1089591167
  X         1.2344188672        5.5632125545        7.9503623685
  X        -4.1326405010       -1.6836644678        1.3916588605
  X         3.4672598110        0.1045246673        7.6534725569
  X         3.6931334735        5.8990336980        4.9988621949
  X        -1.7637068685       -1.5093859916        4.2541692151
  X        -6.6938413456       -5.3560508529       -9.5579814815
  X        -2.9204070163       -0.0665160970        7.4231182950
  X         3.4800368263       -1.6823316797        1.5849030277
  X        -0.1811104771        5.7359020302       -2.1654102657
  X         4.5860924106       -0.8933481201       -3.2302747101
  X        -2.4904285746        4.8868527066        1.0845017243
  X         4.7153782470       -0.5885083184       -8.7518273254
  X        -1.6471704380       -1.0053954292       -9.3039332007
  X        -3.9923245894       -0.7293555817       -1.8738418276
  X        -5.1044357718       -6.3660251471       -9.4873630679
  X         3.1144480505       -1.9905137349       -5.6774655823
  X        -6.4894551943        1.5477805360       -3.3190193808
  X         2.3262407395       -5.5275999362        6.7850652330
  X         4.5612264465        2.6204310677       -0.4909444767
  X         5.0039401341        5.8163201551       -6.4498755185
  X         5.9649311807        4.6565497594        7.0991792512
  X        -1.2416468769       -6.1255844470       -0.6611661144
  X         8.6601101844        4.5048721563        4.2143921672
     890
 Particles+Wannier centers. Iteration:1_0
  O         8.9866198936        3.1998844285        5.3760924173
  C        -4.8779466579        3.6308869984        5.9049079768
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  X        -4.1840274518        4.4788818793        3.7438620843
     890
 Particles+Wannier centers. Iteration:1_0
  O         8.9990032318        3.1933230886        5.3735773790
  C        -4.8726556486        3.6218694568        5.9137797710
  H        10.2432209691        4.7084555596        6.2420352608
  H        -4.7419606651        2.9921507292        6.8219056556
  C         8.7104052409        3.7772943677        4.1236598861
  H         7.6980891018        3.3698506226        3.7034863903
  H         8.7135588823        4.9028984217        4.2635247666
  C        -3.7326343003        3.5278435513        4.9313995641
  H        -3.3928995846        2.5340026170        4.6987618312
  H        -2.8744945653        4.0628273717        5.4046995245
  C        -5.2588902947        3.6514288992        3.1005663042
  H        -5.0960163595        2.6061918595        2.6339551490
  H         9.6386910738        4.2931141347        2.1761158226
  O        -4.1156364860        4.1848129295        3.6675951036
  O         6.0882232623        3.3474009768        1.9834015581
  C         4.7288897117        3.6421232154        1.7675835607
  H         4.0724363920        2.8353278918        2.0589539868
  H         4.4406077747        4.4853886970        2.4323478117
  C         6.2607488484        2.1192959270        1.3088907276
  H         7.3418661803        1.8223026308        1.4895646488
  H         5.6389088514        1.3718039451        1.8422260442
  C         4.5092890815        3.9791879278        0.3073013117
  H         5.1857693926        4.8427884517        0.0892495723
  H         3.5521256397        4.4787112771        0.0747380626
  C         6.0435298921        2.2842589528       -0.1798666834
  H         6.7993437403        2.9408038221       -0.6233104722
  H         6.0481457878        1.3958975027       -0.8658955631
  O         4.7700080617        2.8515177512       -0.5713068934
  O         5.7592783271        4.4402687428        7.1246318511
  C         6.4030884941        3.2528538131        7.6372689730
  H         5.6747029106        2.4199965096        7.7791427010
  H         7.1038903187        2.9948816490        6.8274413657
  C         4.9429400779        4.9386896425        8.2404165923
  H         4.3410747961        5.7471385078        7.8927513346
  H         4.2367924817        4.1887807035        8.5421893519
  C         7.2593567776        3.5644931042        8.8099915656
  H         8.1239297664        4.1546108734        8.5249205986
  H         7.6353344691        2.6102031532        9.2182314265
  C         5.8890198587        5.3787806621        9.2745305142
  H         6.6728485173        6.0920932534        8.7801839027
  H         5.3988801666        5.8709647047      -10.0326611588
  O         6.5935695413        4.2615555467        9.8170161914
  O         4.5082533002        6.0529168580       -6.3876553918
  C         5.7941000923        5.4402302350       -6.6119390390
  H         5.7411220360        4.3325815119       -6.7116314911
  H         6.2960818347        5.8886057955       -7.5183254253
  C         3.9018541595        5.6398039388       -5.0934996685
  H         2.9728204543        6.1554170010       -4.9818076451
  H         3.5362296900        4.5355340674       -5.2155250538
  C         6.7041851033        5.7678317463       -5.4618557936
  H        -0.4647632778       -6.2638866052       -5.3904671242
  H         7.5828374559        5.2130101243       -5.6909318703
  C         4.9196216326        5.8979253711       -3.9992218344
  H        -2.6768702209       -6.1054620358       -3.9024549568
  H         4.5753589854        5.4726932564       -3.0881451276
  O         6.1795630462        5.3650594419       -4.1885982433
  O        -5.5237363829        3.4677351298       -5.2821354202
  C        -5.0822423569        3.3298742984       -3.9455232517
  H        -4.4234614388        2.4989161661       -3.9218532258
  H        -4.5462711354        4.2601172563       -3.7888107669
  C         8.8326308025        2.2313244473       -5.6517482706
  H         8.4459481547        2.3043246891       -6.7455711466
  H        -5.4833041058        1.4409144503       -5.6235259139
  C         8.8885720920        3.0216502085       -2.8968104569
  H         8.0208412333        3.6984496889       -2.9389220421
  H        -5.8121945888        2.9459959155       -1.8963864002
  C         7.7891848162        1.9901354966       -4.6047066712
  H         6.9617101006        2.6863149364       -4.5085460384
  H         7.3930730548        1.0146824113       -4.8242671393
  O         8.3585593257        1.7233686648       -3.2931739953
  O         0.2657915196       -5.4466835520        4.7107183800
  C         1.6887175745       -5.4074771422        4.3704433582
  H         1.9836522515       -6.4460765576        4.2586600798
  H         1.8074304420       -4.8910356760        3.3961430875
  C         0.0775441457       -5.8424498081        6.0960913512
  H        -1.0467495471       -5.7431782674        6.2743561889
  H         7.8456982277        6.1737101890        6.1605636342
  C         2.5642764682       -4.7596636686        5.3883539292
  H         2.3138307986       -3.7292050031        5.4971460721
  H         3.6181592030       -4.9476871671        5.1696135099
  C         0.9044352882       -5.0870690377        7.0751113505
  H         0.5527083233       -4.0477245361        6.9852288073
  H         0.8270819347       -5.4186971124        8.0746110987
  O         2.2596519359       -5.2359123122        6.7358077979
  O         1.5099351300       -6.1859725623        0.1247252550
  C         0.3972871551       -6.4659394808        1.0158061664
  H         7.5939255744        5.5066385122        0.9317133100
  H         0.8943127263       -6.2973883252        1.9918279921
  C         1.1247280349       -6.4882637189       -1.2695529900
  H         1.9697312541       -6.2437326268       -1.9683961108
  H         8.4906079097        5.4980466425       -1.2212118374
  C        -0.7924904456       -5.5402835559        0.6789847852
  H        -0.5467069740       -4.4723536871        0.6518407439
  H        -1.6922166752       -5.6478700818        1.2178095630
  C        -0.1075019036       -5.5811286431       -1.5717493053
  H         0.2846996397       -4.5226090570       -1.6061372129
  H        -0.5143337482       -5.9039460741       -2.4964080862
  O        -1.1725959428       -5.8428439743       -0.6469227916
  C         1.1875357975       -2.2443036407        1.2645485198
  O        -1.3625868998       -0.8751402553        1.3162375451
  C         1.1881467227       -0.8654116500        1.2074258512
  B        -2.5707022025       -0.2104981899        1.1309303932
  C         2.4342519789       -0.1434085011        1.1710600163
  O        -2.6598785059        1.1675589858        0.9368620706
  C         3.5984327123       -0.9417933909        1.3448479323
  C        -4.0246108643       -0.9232248731        1.1073648030
  C         3.5759338904       -2.3332800253        1.2638797967
  C        -4.0454082222       -2.3789242419        1.1222000531
  C         2.3568094921       -2.9882106340        1.1243575204
  C        -5.2327337970       -3.0001060902        1.0650918201
  B         4.8989345624       -3.1322928885        1.2493988063
  C        -6.4280437356       -2.3078828374        1.1782689457
  O         6.1327866743       -2.4373944862        1.2347591316
  C        -6.5000186853       -0.8668860400        1.1446072800
  B        -7.7904139744       -3.1251975879        1.1664844508
  C        -5.2386353027       -0.2012326864        1.1367777871
  O        -7.7812693089       -4.5266571929        1.1141913591
  H        -5.1988508064        0.8982934076        1.0137069120
  B        -8.9826568901       -5.2299659919        1.2287542714
  H        -7.3801053762       -0.2508388390        1.1471981557
  O         4.8973141596       -4.5613001615        1.2561375017
  H        -3.1538643521       -3.0139652759        0.9805812148
  C        -1.3546946552        6.3170909667        1.1162732239
  H        -5.3528808008       -4.1113574320        1.1708234165
  C        -0.1347795623        5.5383182062        1.1104464730
  H         0.6798738699        3.5742305423        1.1334088881
  C        -0.2000583857        4.1739227352        1.0436125125
  H         0.7534782867        6.1149398273        1.3522431495
  C        -1.3917423567        3.4439676411        0.9158542821
  H        -3.4409334510        3.6744661038        0.5252601481
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  H        -3.4637499061        6.2201373474        0.7819026683
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  H         4.5940680278       -0.5232330599        1.4651913010
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  H         2.5234362943        0.9453806018        1.0803643262
  O        -0.2371006352        1.2337160177        0.9592217842
  H         2.3949748357       -4.0461343257        0.8132940390
  B        -0.2141932266       -0.1166967172        1.1686485402
  H         0.2878180249       -2.7365758514        1.2676532128
  C         5.0945177393       -1.4117105624        4.4401495237
  O         2.5082000091        0.2106024189        4.4633196145
  C         5.0658173947        0.0174414459        4.5228639383
  B         1.3363716278        0.9432168923        4.1518029993
  C         6.2270103465        0.6839511729        4.7270001155
  O         1.5367991842        2.2681755964        3.9779342514
  C         7.4550377252       -0.0301449477        4.7453403317
  C        -0.0468099808        0.2068686420        4.2041522058
  C        -7.5773858180       -1.3693040340        4.5286836705
  C        -0.0145850845       -1.1854339294        4.5658230175
  C         6.2935084424       -2.0388779969        4.4108841416
  C        -1.1747982406       -1.8348810599        4.5984095930
  B        -6.1406251753       -2.0313570378        4.5022431013
  C        -2.4440935006       -1.2742599760        4.4896089214
  O        -4.9687897311       -1.4265441705        4.2084097270
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  C        -1.3272455117        0.8665414409        4.0148171393
  O        -3.7288147008       -3.5159397574        4.4136998742
  H        -1.2054639554        1.8989509605        3.7088812180
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  H        -1.1103633650       -2.8852799148        4.7914461337
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  H        -2.7475802570       -5.9825394825        5.0435470899
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  H        -7.0157492265       -5.9736687945        3.8908224870
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  C        -2.2363840995       -1.7164644474        7.8747996958
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  C        -3.4802279535       -2.3608515248        7.9187735996
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  O        -7.2506007173       -1.7624266617        7.7794140773
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  O        -6.0395929263       -3.8707957560        7.8125893010
  H        -3.5349653255        1.4920005857        7.8384139156
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  X         8.7826015379        3.2960031243        5.5589860357
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0102564697        3.1844552186        5.3727835835
  C        -4.8641927678        3.6156245160        5.9261452355
  H        10.2027811624        4.6517123812        6.2249292580
  H        -4.7113793109        3.0237686545        6.7433191614
  C         8.7146337653        3.7824418666        4.1279639279
  H         7.7612458859        3.4143843293        3.7435645902
  H         8.6760667210        4.8792160195        4.2452918259
  C        -3.7256984505        3.5330839079        4.9532062622
  H        -3.3346687006        2.4871224256        4.6979764752
  H        -2.8096879118        4.1085352750        5.3654830752
  C        -5.2518753052        3.6418803846        3.1003710573
  H        -5.1463052012        2.6017825501        2.6505275528
  H         9.6213351382        4.2960835823        2.1939904709
  O        -4.1255082347        4.1773245443        3.6748208339
  O         6.0707781537        3.3370520663        1.9905477755
  C         4.7298790333        3.6382058817        1.7636588097
  H         4.0606819488        2.7741384699        2.1103991186
  H         4.3462099763        4.5151583129        2.3784126304
  C         6.2699066327        2.1065534068        1.3110162609
  H         7.3255220829        1.8063388765        1.5069573195
  H         5.5911524484        1.3790912579        1.7536506649
  C         4.5082766984        3.9667460219        0.3258781384
  H         5.2229736361        4.7817615795        0.1240969314
  H         3.5047655667        4.4540901038        0.1099730829
  C         6.0408700007        2.2818810178       -0.1874125337
  H         6.8594030721        2.9455076783       -0.6034138368
  H         6.0142079576        1.3982918923       -0.8213375079
  O         4.7687432263        2.8710625736       -0.5580404610
  O         5.7621352205        4.4361114986        7.1273049624
  C         6.4084777136        3.2745045733        7.6183474077
  H         5.7315208192        2.3969199498        7.8654942215
  H         7.0931355726        2.9785968464        6.8112674231
  C         4.9364733640        4.9302389586        8.2405525756
  H         4.3457058879        5.7342005688        7.8371106764
  H         4.2052864352        4.1648334297        8.5464841282
  C         7.2802080484        3.5635365151        8.8222749818
  H         8.1314557532        4.1415073996        8.4192071974
  H         7.6621691579        2.6403982274        9.2340915702
  C         5.8904235686        5.3813222669        9.2800497207
  H         6.6799352997        6.1245711654        8.7683197899
  H         5.4192327289        5.8936771594      -10.0181746902
  O         6.5880890651        4.2579190472        9.8146842260
  O         4.5019036389        6.0399580282       -6.3832871389
  C         5.7923687512        5.4343501666       -6.6096820503
  H         5.7391399141        4.3149347259       -6.6965432164
  H         6.2683421267        5.7978087916       -7.5162490318
  C         3.9137216995        5.6381940201       -5.0932587004
  H         2.9320547438        6.1687059565       -4.8965736235
  H         3.5554608901        4.5902053546       -5.2713466135
  C         6.7221151277        5.7637276110       -5.4348611358
  H        -0.4694085537       -6.2724136378       -5.4399495931
  H         7.6554813277        5.1768463372       -5.6607692743
  C         4.9061304933        5.8968317690       -3.9969573344
  H        -2.6650220056       -6.0433272789       -3.8672096743
  H         4.5381245807        5.4779905811       -3.0778954883
  O         6.2026949356        5.3645998412       -4.1730228754
  O        -5.5277222483        3.4527769316       -5.2739517871
  C        -5.0826229140        3.3322244935       -3.9500454424
  H        -4.3436188426        2.4700477754       -3.8959796285
  H        -4.5676172462        4.3157944533       -3.7416860465
  C         8.8168415598        2.2362835487       -5.6579335915
  H         8.4335827023        2.3407524622       -6.6535219126
  H        -5.4502207638        1.4778390908       -5.5864300043
  C         8.8711599368        3.0149732741       -2.9082895096
  H         7.9946800808        3.6726462006       -2.8864782544
  H        -5.8861208143        2.8786757092       -1.9027632401
  C         7.7825293561        1.9846889597       -4.6025682086
  H         6.9754160224        2.7146200602       -4.5301807241
  H         7.3485073269        1.0070101948       -4.7854645587
  O         8.3550992887        1.7286049185       -3.3033629591
  O         0.2794572351       -5.4439460047        4.7187913679
  C         1.6773242166       -5.4139890253        4.3416907831
  H         1.8910298448       -6.4639797110        4.3246339450
  H         1.7524594074       -4.9013555457        3.4309828995
  C         0.0782873286       -5.8396191934        6.1187756102
  H        -1.0324054502       -5.7587910613        6.2950245024
  H         7.8459844833        6.1714656964        6.2006061661
  C         2.5528426845       -4.7640535618        5.4115347927
  H         2.3782597999       -3.7165657531        5.4716390527
  H         3.5733703092       -4.8282656407        5.1825367676
  C         0.9156485073       -5.0828139063        7.0689274034
  H         0.4946430531       -4.0399845975        7.0559339606
  H         0.9062311123       -5.4351778005        8.1288543606
  O         2.2611454312       -5.2450545375        6.7090418936
  O         1.5191882280       -6.1911179504        0.1128661564
  C         0.3939718895       -6.4585659654        1.0282196063
  H         7.6395643189        5.5262957868        0.9091745891
  H         0.9223960439       -6.2925890569        2.0496133470
  C         1.1240389195       -6.4721909233       -1.2778931552
  H         1.9749323317       -6.3539541796       -1.9333332322
  H         8.5031954066        5.5206274993       -1.2174630469
  C        -0.7903340347       -5.5490704324        0.6944768426
  H        -0.5358763160       -4.4772408936        0.6482912281
  H        -1.6977644268       -5.6658826146        1.2218521124
  C        -0.0993629942       -5.5647118527       -1.5762072145
  H         0.2868751015       -4.5170339040       -1.5807806071
  H        -0.4950374890       -5.8226908816       -2.5525200419
  O        -1.1644379384       -5.8496995777       -0.6439684708
  C         1.1807656722       -2.2486682899        1.2617149754
  O        -1.3745825866       -0.8826715485        1.2959452531
  C         1.1806004338       -0.8648245248        1.1940620926
  B        -2.5807082135       -0.2055731310        1.1222759829
  C         2.4499729581       -0.1615438781        1.1903112823
  O        -2.6742201543        1.1803689253        0.9360897573
  C         3.6052041960       -0.9353941259        1.3394923055
  C        -4.0135786501       -0.9152357959        1.1292240816
  C         3.5847139986       -2.3410242126        1.2607886341
  C        -4.0444400211       -2.3743246259        1.1121927144
  C         2.3607454583       -2.9905362783        1.1242828895
  C        -5.2418552465       -2.9995237714        1.0496274620
  B         4.9093697786       -3.1239012445        1.2561502450
  C        -6.4209909285       -2.3012553863        1.1657963524
  O         6.1270258570       -2.4222060230        1.2186550262
  C        -6.4945265778       -0.8650010636        1.1468560723
  B        -7.7948280968       -3.1023480613        1.1678926742
  C        -5.2416931648       -0.2163596191        1.1332778226
  O        -7.7820186080       -4.5314272950        1.1149211285
  H        -5.1856111644        0.8676690320        1.0624570410
  B        -8.9727299486       -5.2323790201        1.2373441871
  H        -7.4090698483       -0.2717872418        1.1790121304
  O         4.8924448022       -4.5572953299        1.2735801816
  H        -3.1489015535       -2.9852565725        0.9597477468
  C        -1.3518661252        6.2942257897        1.1268006377
  H        -5.4043677270       -4.1019482397        1.1546443151
  C        -0.1429341011        5.5272937115        1.1000677669
  H         0.7554020739        3.5653677387        1.1485199602
  C        -0.1983863741        4.1745925224        1.0396718111
  H         0.7365260107        6.0970465261        1.3376509091
  C        -1.4045982078        3.4429593123        0.9048128569
  H        -3.3963814299        3.6829323083        0.5436550068
  C        -2.5714844031        4.2812049983        0.7488699635
  H        -3.4549429390        6.2108502776        0.8102859409
  C        -2.5245834685        5.6516451915        0.8625648202
  H         4.6333921994       -0.5403674210        1.4544471181
  B        -1.4701491835        1.9224596597        0.8649291303
  H         2.4884754723        0.9499508871        1.0756365761
  O        -0.2373049298        1.2445934854        0.9581382646
  H         2.3706729862       -4.0793307872        0.8695555230
  B        -0.2111621479       -0.1283152053        1.1604369504
  H         0.2500809503       -2.7630798595        1.2503802827
  C         5.0771936947       -1.3882064694        4.4210476189
  O         2.5177303031        0.2021962171        4.4574619715
  C         5.0609281248        0.0094548574        4.5262710280
  B         1.3321381179        0.9262579720        4.1485106958
  C         6.2209209818        0.6909854888        4.7145341464
  O         1.5330229466        2.2860733433        3.9752930338
  C         7.4517986655       -0.0204228496        4.7564395139
  C        -0.0253251969        0.2131078838        4.1919807984
  C        -7.5814459663       -1.3556943844        4.5168813562
  C        -0.0004111645       -1.1834572901        4.5626816145
  C         6.2778178299       -2.0432977436        4.4172691341
  C        -1.1764269808       -1.8434203398        4.5948870587
  B        -6.1561354229       -2.0530584945        4.5037554897
  C        -2.4606215730       -1.2615890184        4.4743912520
  O        -4.9759331284       -1.4255580003        4.1950197131
  C        -2.4752146851        0.1589357090        4.1332797288
  B        -3.8050140116       -2.1017589832        4.4546151528
  C        -1.3296698631        0.8809199894        4.0068561100
  O        -3.7248544633       -3.5197614058        4.4059815126
  H        -1.2450601020        1.9414823353        3.6779767618
  B        -4.8777058193       -4.2516883288        4.6181047622
  H        -3.5049166651        0.5905570177        4.0325759871
  O        -6.1039630425       -3.4950887334        4.6831282579
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  H        -1.1141835836       -2.8951905024        4.7922166700
  C        -3.6708851991       -6.5252751862        4.8288396884
  H         4.8700307546        4.6723503216        5.0560819667
  C         3.9280191651        5.1490025691        4.6845355501
  H        -2.7588926609       -6.0060450230        5.0181008723
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  H         0.6918206752        4.6317735077        3.6322978029
  C         1.5563984084        5.2296035944        3.9909623525
  H        -6.9781653283       -5.9903227030        3.8988163290
  C        -6.0001717114       -6.4258092317        4.0383129778
  H        -6.7344284888        0.5647821835        4.8404624136
  B         2.6673382376        2.9041862213        4.4471020431
  H         6.2365239818        1.7653224343        4.9202403091
  O         3.8048568229        2.1683765627        4.8414206942
  H        -8.7670572687       -3.1262902619        4.3680544791
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  H         4.1015377684       -1.8298639062        4.3209622661
  C         2.7694893019       -1.5165918310        8.0143650863
  O         0.2841172109       -0.0401882083        7.8775998381
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  O        -0.9921281280        1.9272087757        7.2483597194
  C         5.2655805662       -0.2417929528        7.8546373422
  C        -2.2160385162       -0.3467262425        7.6518327855
  C         5.2525745460       -1.6688351961        7.9048359181
  C        -2.2428293307       -1.7095502240        7.8645354204
  C         4.0033698793       -2.2783959394        8.0059006590
  C        -3.4896346567       -2.3573956927        7.9201411061
  B        -8.4955015382       -2.3434276369        7.8993741417
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  O        -7.2638448262       -1.7587053273        7.7976455216
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  B        -6.0223326226       -2.4887418068        7.8062658531
  C        -3.4326864975        0.4084762763        7.7601340712
  O        -6.0410097664       -3.8672967707        7.8122598106
  H        -3.4933820955        1.4818320993        7.8056275669
  B        -7.4032126486       -4.5211856856        7.6789839611
  H        -5.6015481429        0.2026248901        7.8226790654
  O        -8.5179999257       -3.7208729401        7.7248499809
  H        -1.3360340160       -2.3477151179        7.8217952613
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  H        -3.6065503426       -3.4302136541        8.1694011678
  C         1.3870366926        6.3116977413        7.6952231583
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  H        -5.2758767366       -6.1395260814        7.7592766668
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  H        -2.0372115337        4.4031307465        7.8497372653
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  H        -9.5145242149       -6.2219431384        7.7929355015
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  H         3.9813021435       -3.3429107188        8.1138367831
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  H         1.7695210004       -2.0628070064        8.1559444036
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  O         1.5392596610        1.0015684908       -8.6798748278
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  C        -0.9136751396        0.6547813396       -9.1352409679
  C         6.5305930831       -0.3933722322       -9.1192348859
  C        -0.9375015051       -0.8002854752       -8.9757159252
  C         5.3018964203       -1.0431778129       -9.0878563863
  C        -2.2268896555       -1.3684877881       -9.0460840981
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  H        -2.2411452361       -2.5392406536       -8.9702795132
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  O        -1.2728037912       -2.1789725625       -5.6528721925
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  X        -1.1919104978       -6.1518475589       -0.6604693258
  X         9.0526411092        2.8904492291        5.3112681116
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0185224125        3.1724777825        5.3730492611
  C        -4.8554450801        3.6133530067        5.9299435706
  H        10.1394363799        4.6458699804        6.2275014837
  H        -4.6537903812        2.9742119145        6.7851549829
  C         8.7202868446        3.7913069267        4.1270193694
  H         7.8083149602        3.4430531572        3.7960020935
  H         8.6105213301        4.8576358204        4.2429490299
  C        -3.7107355672        3.5378551445        4.9681381901
  H        -3.3164377283        2.4935724551        4.7180840393
  H        -2.8135929247        4.1295496145        5.2833047942
  C        -5.2525883350        3.6299070671        3.0948442295
  H        -5.1861876102        2.6203023567        2.7113412992
  H         9.6178946176        4.2726055306        2.2586974790
  O        -4.1277005404        4.1706300112        3.6863836575
  O         6.0563350091        3.3272585562        1.9987107362
  C         4.7162747941        3.6371088030        1.7656470101
  H         4.0806312176        2.7416360877        2.1398993655
  H         4.3052133867        4.5084086455        2.3024467074
  C         6.2817244232        2.0923218850        1.3085366974
  H         7.2931718102        1.7918185191        1.5162061963
  H         5.5325543277        1.3640729867        1.6708436523
  C         4.5041665933        3.9611649057        0.3399628926
  H         5.2728158442        4.7340572186        0.1444756292
  H         3.4892906987        4.3748932884        0.1539144038
  C         6.0391286341        2.2847589754       -0.2011344144
  H         6.8943520814        2.9300242777       -0.5593302167
  H         6.0045582544        1.3587988883       -0.7588349850
  O         4.7668021634        2.8917994896       -0.5419120060
  O         5.7612113574        4.4320779931        7.1343997539
  C         6.4164862230        3.2895167596        7.5973601474
  H         5.7881019328        2.4268676441        7.9278444756
  H         7.0792000841        2.9467847360        6.7930327130
  C         4.9318241663        4.9223837353        8.2350455648
  H         4.3374136970        5.7610870025        7.7732763161
  H         4.1904667228        4.1315464844        8.5696409431
  C         7.3031014657        3.5643647885        8.8285306868
  H         8.1479304874        4.1443303712        8.3327574436
  H         7.6907065568        2.6401363498        9.2687083370
  C         5.8992851122        5.3898539405        9.2885000434
  H         6.6132382806        6.0944531337        8.8072176408
  H         5.4497416428        5.9048118877      -10.0325643032
  O         6.5822186088        4.2554944479        9.8168923258
  O         4.4941646352        6.0285031860       -6.3785963907
  C         5.7893131182        5.4277699926       -6.5986386648
  H         5.7165363675        4.3168703987       -6.6802083770
  H         6.2165032286        5.7284427015       -7.5390115231
  C         3.9239842131        5.6334217835       -5.0994586263
  H         2.9531216864        6.1927602740       -4.8349004983
  H         3.6083805366        4.6427294079       -5.2941453117
  C         6.7478035862        5.7577972944       -5.4143163825
  H        -0.5004357912       -6.2573396461       -5.4786034694
  H         7.7032860231        5.1450509782       -5.5967048510
  C         4.8883306441        5.8998051793       -3.9909123382
  H        -2.6281048486       -6.0231401199       -3.8380184867
  H         4.4871665035        5.4681099023       -3.0241517958
  O         6.2279110782        5.3648102428       -4.1592664634
  O        -5.5369001591        3.4376895103       -5.2678658363
  C        -5.0814938094        3.3363443214       -3.9471021152
  H        -4.2821781315        2.4762052435       -3.8526670077
  H        -4.6054420441        4.3287306601       -3.6948083742
  C         8.8120239020        2.2435019917       -5.6540394691
  H         8.4111460800        2.3891563287       -6.6030860126
  H        -5.4689040929        1.5022634406       -5.5742158608
  C         8.8561099351        3.0062561887       -2.9267487952
  H         7.9878579303        3.6840896216       -2.8484977525
  H         9.1749493869        2.8191279798       -1.8678785345
  C         7.7726813026        1.9675033950       -4.5987150355
  H         6.9862522812        2.7686433774       -4.5546266615
  H         7.2683342124        0.9777096548       -4.7865453582
  O         8.3515906488        1.7380035500       -3.3151074277
  O         0.2911874528       -5.4380704650        4.7300941787
  C         1.6632778709       -5.4232484709        4.3253673032
  H         1.8595132731       -6.5243805825        4.3520758537
  H         1.7016545340       -4.8846012126        3.3843315632
  C         0.0717850305       -5.8427464007        6.1355516997
  H        -0.9766715031       -5.7629532333        6.3076132853
  H         7.8491325573        6.1386709362        6.2406480976
  C         2.5326075392       -4.7673219369        5.4349301442
  H         2.4154059109       -3.6215019877        5.4283800591
  H         3.6195672699       -4.7501600099        5.1888426663
  C         0.9245982617       -5.0752149771        7.0672166538
  H         0.4922328265       -4.0261193929        7.1244988293
  H         0.9518116306       -5.4572255639        8.1553442199
  O         2.2685930378       -5.2542279152        6.6858678885
  O         1.5268956442       -6.1956447459        0.0999846714
  C         0.3973462310       -6.4515678577        1.0455521177
  H         7.6899683770        5.5966565917        0.9044881164
  H         0.8808424887       -6.3041904085        2.0374908987
  C         1.1204200813       -6.4564897653       -1.2775661400
  H         1.9986910656       -6.4311506519       -1.9097966561
  H         8.4731554741        5.5322707116       -1.2550151440
  C        -0.7827376100       -5.5561471024        0.7043378517
  H        -0.5028828945       -4.4801734405        0.6794713442
  H        -1.7481904248       -5.7030109460        1.2989652385
  C        -0.0873827657       -5.5557252412       -1.5805100844
  H         0.2635069895       -4.5179126672       -1.5396763246
  H        -0.4885278443       -5.7406782079       -2.6316456465
  O        -1.1564380681       -5.8555923917       -0.6452233845
  C         1.1782003651       -2.2554437057        1.2558390967
  O        -1.3894766396       -0.8866526152        1.2735030585
  C         1.1742265047       -0.8564541600        1.1822382375
  B        -2.5981078664       -0.1988417292        1.1137287072
  C         2.4611277139       -0.1807077147        1.2097454601
  O        -2.6836133410        1.1943756599        0.9337626874
  C         3.6165802102       -0.9269666045        1.3340170365
  C        -3.9987439971       -0.9164693425        1.1517788150
  C         3.5944163988       -2.3467886656        1.2552663193
  C        -4.0366131486       -2.3615336584        1.0996551080
  C         2.3619089476       -2.9944189382        1.1238970612
  C        -5.2557503174       -3.0065651404        1.0399485700
  B         4.9221143052       -3.1216408965        1.2639510757
  C        -6.4299333923       -2.2887972416        1.1506032288
  O         6.1172282354       -2.4086490411        1.2025525757
  C        -6.4791559022       -0.8682848131        1.1496796829
  B        -7.7927067385       -3.0836056429        1.1704927578
  C        -5.2435766629       -0.2307562186        1.1289894147
  O        -7.7824170765       -4.5311165132        1.1166496445
  H        -5.1783729308        0.8478972164        1.1210583163
  B        -8.9619060710       -5.2323288158        1.2408929974
  H        -7.4406876208       -0.3181130975        1.2064441482
  O         4.8912356925       -4.5490857732        1.2921730709
  H        -3.1295822393       -2.9350832085        0.9609768048
  C        -1.3422986816        6.2740750513        1.1347043493
  H        -5.4128234836       -4.0645379520        1.1070423394
  C        -0.1584923160        5.5250978428        1.0937451590
  H         0.7865429003        3.5966153834        1.1524342193
  C        -0.1907321003        4.1634287068        1.0348728981
  H         0.7620572450        6.0735030305        1.3065481656
  C        -1.4209746450        3.4555590673        0.8898066190
  H        -3.4692144927        3.6771017093        0.5444918561
  C        -2.5496952279        4.2888703191        0.7591831780
  H        -3.4596065729        6.2098345489        0.8317039449
  C        -2.5291574931        5.6550479582        0.8671181136
  H         4.6359632672       -0.5392393739        1.4330311227
  B        -1.4648577257        1.9259898624        0.8695590352
  H         2.4515303199        0.9137857900        1.0786303205
  O        -0.2401214005        1.2547052362        0.9560595191
  H         2.3322245488       -4.0795186515        0.9487777481
  B        -0.2046929327       -0.1408483659        1.1514325893
  H         0.1605699462       -2.8138251092        1.2372459631
  C         5.0604420249       -1.3616771250        4.4020083010
  O         2.5240119128        0.1931880041        4.4499269196
  C         5.0508190614        0.0030453933        4.5299250147
  B         1.3365519277        0.9101435839        4.1474523722
  C         6.2259316059        0.6995050174        4.7049545522
  O         1.5264876964        2.3039989090        3.9725909434
  C         7.4474174171        0.0013696671        4.7650290589
  C        -0.0115978418        0.2197883072        4.1820553213
  C        -7.5838345315       -1.3492088996        4.5069995152
  C         0.0171923909       -1.1635986894        4.5531290239
  C         6.2670944626       -2.0531826066        4.4235165911
  C        -1.1862211274       -1.8604912862        4.5938912769
  B        -6.1760882026       -2.0880826970        4.5025112462
  C        -2.4745167837       -1.2431898039        4.4547667309
  O        -4.9834271159       -1.4226591161        4.1849150867
  C        -2.4943935717        0.1681147512        4.1487733278
  B        -3.7920371306       -2.0964681913        4.4560765057
  C        -1.3148310925        0.8949713244        3.9982779009
  O        -3.7201637578       -3.5190545897        4.4010753468
  H        -1.3087686719        1.9544879460        3.6642479566
  B        -4.8716350660       -4.2511191245        4.6316988519
  H        -3.4690241373        0.6303784421        3.9898663682
  O        -6.1082884608       -3.4942560165        4.6749415008
  H         0.9747879091       -1.6544708848        4.6828699745
  C        -4.8170299775       -5.7778804000        4.4698547867
  H        -1.1328063071       -2.9481533004        4.8007764065
  C        -3.6623364086       -6.5361074185        4.8173436078
  H         4.9035530581        4.7262716766        5.0935931074
  C         3.9319548843        5.1393647001        4.7024568198
  H        -2.7442088520       -5.9994944818        5.0068430994
  C         2.6925319563        4.4668580307        4.4862839128
  H         0.6421484135        4.6557956444        3.6568571024
  C         1.5622635814        5.2251511976        3.9697372498
  H        -6.9405527324       -5.9604470988        3.8869151340
  C        -5.9928229742       -6.4364224409        4.0343993240
  H        -6.7120428761        0.6114024701        4.7902197490
  B         2.6437851906        2.9084674823        4.4505270865
  H         6.2400167646        1.7921728876        4.9125686087
  O         3.7989786408        2.1639315673        4.8561474354
  H        -8.7363680384       -3.1230886990        4.4311505297
  B         3.7555671772        0.8067825093        4.6215698912
  H         4.1025373426       -1.8398207390        4.2188462079
  C         2.7842197137       -1.5303126626        8.0107492988
  O         0.2943314796       -0.0449822699        7.8803801773
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  B        -0.9071733720        0.5528606445        7.5973886560
  C         4.0605342898        0.4952367338        7.9059074470
  O        -0.9942210364        1.9405579564        7.2531674341
  C         5.2640267798       -0.2261649486        7.8704501798
  C        -2.2061329446       -0.3370205569        7.6498890510
  C         5.2525441672       -1.6393372465        7.9165551566
  C        -2.2511787621       -1.7086464871        7.8510088966
  C         4.0148380174       -2.2683186000        8.0142999111
  C        -3.4998501179       -2.3561919124        7.9226093557
  B        -8.5056589584       -2.3443046667        7.9051318078
  C        -4.7131649802       -1.6637219571        7.8248025531
  O        -7.2731393341       -1.7525099296        7.8195781240
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  B        -6.0071924559       -2.4787491477        7.8250431636
  C        -3.4253286144        0.4204706512        7.7711351618
  O        -6.0497458543       -3.8657118215        7.8111794717
  H        -3.4227582131        1.4965117642        7.7620118411
  B        -7.3909075635       -4.5260935952        7.6670241036
  H        -5.5966593744        0.2448792643        7.8783194614
  O        -8.5283024749       -3.7381421445        7.7284712120
  H        -1.3421584401       -2.3301154508        7.8075650727
  C        -7.4082355604       -6.0721075234        7.7305965644
  H        -3.6364095199       -3.3977972011        8.1435127073
  C         1.3895531753        6.3001654033        7.7034732647
  H         2.2726514011        4.2700256521        7.3192695884
  C         1.3568487833        4.8567352007        7.5888089238
  H        -5.2385539282       -6.1288692115        7.7545441626
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  H        -2.0129792385        4.4161784683        7.8073997655
  C        -1.0693723114        4.9471260084        7.7393292427
  H        -9.4584215386       -6.1633176872        7.7758764480
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  H         3.9491517648        1.5635077547        7.8034270725
  O         1.4190997128        2.0360211382        7.8596803465
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  H         1.8395418005       -2.0342506459        8.2081932754
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  O         1.5333277931        1.0052342536       -8.6724839348
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  B         0.3006448795        1.5948325794       -9.0575658771
  C         5.3348302940        1.7076295708       -8.7044089904
  O         0.2514546328        2.9765081407       -9.2600231240
  C         6.4908792259        1.0158803057       -8.8996853254
  C        -0.9164014584        0.6574799533       -9.1433657212
  C         6.5240614565       -0.3863716119       -9.1158578576
  C        -0.9176824376       -0.8080172607       -8.9813715315
  C         5.2987554597       -1.0502395260       -9.1050984202
  C        -2.2174224531       -1.3788063897       -9.0446101533
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  O        -6.0234777360       -0.6873732123       -9.0338420263
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  B        -4.8600300806       -1.3596200177       -9.1641015557
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  O        -4.9328978032       -2.7270925517       -9.2385551106
  H        -2.1361996596        2.4677179869       -9.3421986750
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  H        -4.3842922495        1.2688015415       -9.2655086587
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  H        -4.0303814411       -5.0604677486       -9.2002106220
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  H         3.2075132286       -0.9600890816       -9.2114824510
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  O        -1.2878240327       -2.1746113826       -5.6667498824
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  X        -5.3837011515        3.3595838047       -4.7473154554
  X         4.5640873841        2.6798431972       -0.4687421697
  X         5.9819951118        4.6369678744        7.1149556653
  X        -4.0097157013        3.8986617650        4.1754369307
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0246670553        3.1568157985        5.3724752795
  C        -4.8461109711        3.6105171735        5.9318774250
  H        10.0696341490        4.6863387402        6.2596963585
  H        -4.5981640006        2.9109116172        6.8562813253
  C         8.7333083327        3.8008891750        4.1249599584
  H         7.7453720209        3.4141898528        3.8142391705
  H         8.5356072047        4.8764717534        4.2572597746
  C        -3.6920644432        3.5413639906        4.9729405348
  H        -3.3420549245        2.5520146178        4.7604784087
  H        -2.8502871108        4.1391024289        5.2011966444
  C        -5.2608240407        3.6191025290        3.0945374169
  H        -5.1942304574        2.5897756390        2.7720115754
  H         9.6063110463        4.2685592612        2.2848284771
  O        -4.1219354731        4.1655575254        3.7021823844
  O         6.0452452749        3.3167681146        2.0081186539
  C         4.6901823173        3.6338412063        1.7719802708
  H         4.1250391541        2.7646895993        2.1391620203
  H         4.3119687095        4.5034794757        2.2534436804
  C         6.2869777837        2.0796551875        1.3003002009
  H         7.2908782671        1.7647719582        1.5313077798
  H         5.4924640613        1.3396053233        1.6093211970
  C         4.4988930909        3.9594700120        0.3513429153
  H         5.3045565943        4.7137867787        0.1523729616
  H         3.4863383593        4.2787769692        0.1860434553
  C         6.0384471458        2.2902488585       -0.2153852390
  H         6.8932596795        2.9008594828       -0.5199257700
  H         6.0170730514        1.2882877188       -0.7052171813
  O         4.7652002420        2.9087998333       -0.5249236084
  O         5.7559644000        4.4292549049        7.1432456242
  C         6.4300061028        3.2963496966        7.5796165342
  H         5.8153039543        2.4907190869        7.9560188395
  H         7.0644647549        2.9076325164        6.7696863406
  C         4.9223550030        4.9186741332        8.2254956931
  H         4.3520293327        5.7671049113        7.7386642919
  H         4.2193503098        4.1294535261        8.5948281649
  C         7.3278396245        3.5691552717        8.8266652236
  H         8.1571162191        4.1501637625        8.3093877856
  H         7.7195116248        2.6322220432        9.3056500785
  C         5.9089784289        5.3967662315        9.2981899042
  H         6.5524818120        6.0634621770        8.8469825473
  H         5.4703292883        5.9150234010      -10.0374676762
  O         6.5772855722        4.2529576201        9.8218288311
  O         4.4864162160        6.0195882774       -6.3755072024
  C         5.7863827911        5.4191562295       -6.5790056558
  H         5.6785465007        4.3257488666       -6.6566804469
  H         6.1563194605        5.6983479031       -7.5949073940
  C         3.9318524889        5.6345488383       -5.1085999299
  H         3.0397525156        6.2065257601       -4.8120010290
  H         3.6533341868        4.6014232945       -5.2864790188
  C         6.7780464747        5.7478181892       -5.4024336183
  H        -0.5405634045       -6.2320127963       -5.4958368603
  H         7.6949720372        5.1518956914       -5.5126578410
  C         4.8714097837        5.9054831483       -3.9750521963
  H        -2.5800799905       -6.0797591117       -3.8172508352
  H         4.4645203038        5.4744515198       -3.0121346688
  O         6.2494010735        5.3677082783       -4.1466909593
  O        -5.5487814797        3.4243722949       -5.2637781047
  C        -5.0787429025        3.3393219267       -3.9346546156
  H        -4.2816860093        2.5528309911       -3.8097853082
  H        -4.6533523223        4.2956994849       -3.6605756357
  C         8.8149236377        2.2511027664       -5.6378093816
  H         8.3616766671        2.4482249915       -6.6525295330
  H        -5.5224542767        1.4894617590       -5.5937115191
  C         8.8454210940        2.9953628396       -2.9414373046
  H         8.0014802801        3.7236135211       -2.8404316311
  H        -5.9391720082        2.7842964585       -1.8671533120
  C         7.7553481388        1.9404541936       -4.5982511233
  H         7.0202454177        2.8062565524       -4.5741953135
  H         7.1901853584        0.9880088664       -4.8144714532
  O         8.3467919973        1.7490416140       -3.3267753083
  O         0.2973422148       -5.4296939968        4.7454139976
  C         1.6507732019       -5.4382193844        4.3207793123
  H         9.4374446618        6.5206267695        4.3307021961
  H         1.6704850812       -4.8724767167        3.3161255023
  C         0.0681124552       -5.8541577871        6.1444307521
  H        -0.9767670895       -5.7438464967        6.3245378893
  H         7.8488376150        6.1278305875        6.2679406276
  C         2.5160576640       -4.7568584630        5.4461597344
  H         2.4196602936       -3.5732265793        5.3881322193
  H         3.6581598581       -4.7234561686        5.2058952703
  C         0.9321743710       -5.0656224388        7.0758249660
  H         0.5533506042       -4.0264011486        7.1759486993
  H         0.9602726872       -5.4623954218        8.1117328554
  O         2.2798761458       -5.2641645872        6.6682962955
  O         1.5333253015       -6.1994017412        0.0884064933
  C         0.4092939469       -6.4416531027        1.0600592063
  H         7.7125007119        5.6097683748        0.9097206875
  H         0.8150846944       -6.3111312756        2.0085478120
  C         1.1135631840       -6.4440011060       -1.2697629405
  H         2.0419259274       -6.4574992428       -1.9063375634
  H         8.3877813351        5.5474015026       -1.3235021679
  C        -0.7788169721       -5.5623351318        0.7144099368
  H        -0.4650243741       -4.4939578160        0.7461711456
  H        -1.7297847918       -5.7427868231        1.3623973098
  C        -0.0763625795       -5.5534707231       -1.5897581887
  H         0.2281932161       -4.5005875507       -1.4853595679
  H        -0.4689233205       -5.6552497033       -2.6492527413
  O        -1.1495209128       -5.8621168866       -0.6512395218
  C         1.1705686802       -2.2663125033        1.2473841620
  O        -1.4056819667       -0.8884595703        1.2480876750
  C         1.1721185451       -0.8478315197        1.1739928898
  B        -2.6204630546       -0.1900671578        1.1048116455
  C         2.4662697740       -0.1993733024        1.2280720891
  O        -2.6877706622        1.2092811977        0.9305473847
  C         3.6316131817       -0.9220129507        1.3282657548
  C        -3.9850497644       -0.9267823467        1.1711124054
  C         3.6020931002       -2.3502995218        1.2498678900
  C        -4.0269420200       -2.3429074293        1.0863469744
  C         2.3612624643       -2.9986006133        1.1261517366
  C        -5.2691367760       -3.0115263853        1.0345349522
  B         4.9349555037       -3.1249798066        1.2728880756
  C        -6.4495383202       -2.2746869226        1.1346098136
  O         6.1055139135       -2.3971500372        1.1864961008
  C        -6.4586156504       -0.8745872740        1.1534578298
  B        -7.7854892683       -3.0706199427        1.1742767832
  C        -5.2414565306       -0.2427430263        1.1247319539
  O        -7.7821788828       -4.5238904046        1.1205859980
  H        -5.1771895533        0.8506638785        1.1812044030
  B        -8.9533932646       -5.2333704982        1.2420836664
  H        -7.4381614601       -0.3866966665        1.2329698209
  O         4.8940845059       -4.5383835399        1.3110781150
  H        -3.0855440749       -2.8841146099        0.9839525003
  C        -1.3312342120        6.2633188312        1.1425695152
  H        -5.3920167327       -4.0740268435        1.0418853651
  C        -0.1705852009        5.5282169896        1.0930977614
  H         0.7618107324        3.6518022147        1.1398229654
  C        -0.1797964041        4.1429953290        1.0296674289
  H         0.7990844499        6.0416296403        1.2606183523
  C        -1.4339775853        3.4767487217        0.8721599220
  H        -3.5338756247        3.7235790653        0.5534675993
  C        -2.5333728013        4.2834183132        0.7681768431
  H        -3.4757467667        6.2159989251        0.8491499235
  C        -2.5409768120        5.6539944992        0.8726163279
  H         4.6196254313       -0.5097336572        1.4052214912
  B        -1.4613559820        1.9261751311        0.8758221204
  H         2.4290451809        0.8616663951        1.0905446443
  O        -0.2441993854        1.2606785175        0.9540148312
  H         2.2920950740       -4.0719838314        1.0307296751
  B        -0.1978808982       -0.1511657416        1.1422649847
  H         0.1565480515       -2.8112965028        1.2272794981
  C         5.0459079633       -1.3426956496        4.3802560995
  O         2.5259046619        0.1832751247        4.4419869219
  C         5.0388293574        0.0015381562        4.5349079905
  B         1.3522358461        0.8997893636        4.1492846408
  C         6.2387397595        0.7103875006        4.6992648197
  O         1.5157176369        2.3171260468        3.9706993248
  C         7.4468031403        0.0331488635        4.7678054936
  C        -0.0060492203        0.2265368015        4.1719971701
  C        -7.5867879965       -1.3486664978        4.5026006874
  C         0.0306161149       -1.1367600669        4.5395693902
  C         6.2627363467       -2.0610501617        4.4302415266
  C        -1.2004568641       -1.8812229740        4.5946370605
  B        -6.1953012540       -2.1290443628        4.4960195261
  C        -2.4819283971       -1.2214278390        4.4330068368
  O        -4.9915393668       -1.4205244073        4.1794571120
  C        -2.5125026888        0.1731387900        4.1644850301
  B        -3.7761356488       -2.0936454170        4.4477230958
  C        -1.2925125533        0.9047682466        3.9906755649
  O        -3.7152917010       -3.5140315053        4.4006461911
  H        -1.3750746200        1.9368743676        3.6711616457
  B        -4.8711638086       -4.2417166925        4.6377581745
  H        -3.4341538302        0.6773862518        3.9515421985
  O        -6.1103758529       -3.4944494625        4.6691796948
  H         0.9713848303       -1.7211927311        4.7446392083
  C        -4.8004911761       -5.7856337746        4.4791622110
  H        -1.1591504918       -2.9798830339        4.8001630628
  C         3.8933616151        6.5302661408        4.7992559007
  H         4.8752675042        4.7571889337        5.0940638587
  C         3.9332368704        5.1344150271        4.7295290840
  H        -2.7138110473       -5.9846304066        5.0045355615
  C         2.6748212316        4.4731316369        4.4711521788
  H         0.6367976251        4.7143558154        3.7017513745
  C         1.5707648728        5.2174743769        3.9531775233
  H        -6.9164439840       -5.8949223352        3.8533406838
  C        -5.9787184007       -6.4568010101        4.0337188100
  H        -6.7183137487        0.6316914148        4.7574483235
  B         2.6294870884        2.9144966481        4.4564275117
  H         6.2283963366        1.7808597336        4.8874344171
  O         3.7902916961        2.1619250123        4.8700483338
  H        -8.7247991992       -3.1538438336        4.4770597251
  B         3.7524639594        0.7974485787        4.6422817039
  H         4.1023276972       -1.8723966273        4.1392844584
  C         2.8056534872       -1.5523829285        8.0107980433
  O         0.3034893032       -0.0508718888        7.8852255359
  C         2.8008520597       -0.1520105297        7.9227317479
  B        -0.9141240921        0.5438621725        7.5949955348
  C         4.0633789908        0.4816270996        7.8837281987
  O        -0.9915882171        1.9501026657        7.2615124592
  C         5.2537813599       -0.2116960584        7.8893166678
  C        -2.1972987286       -0.3178621520        7.6524068922
  C         5.2495826759       -1.6017361749        7.9287733650
  C        -2.2622672339       -1.7130816543        7.8373979835
  C         4.0201044964       -2.2585171865        8.0232044213
  C        -3.5076150618       -2.3553931719        7.9238704209
  B        -8.5097913225       -2.3539279798        7.9055085849
  C        -4.7104247234       -1.6830575152        7.8268783329
  O        -7.2763808127       -1.7456470776        7.8432647620
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  B        -6.0068221685       -2.4701326993        7.8422334419
  C        -3.4171888912        0.4223548125        7.7800921558
  O        -6.0651420520       -3.8647639404        7.8096512267
  H        -3.3488501709        1.5264970306        7.7121059829
  B        -7.3694338349       -4.5222246259        7.6614866329
  H        -5.5552004883        0.2835077652        7.9298833060
  O        -8.5362479611       -3.7588677979        7.7328125306
  H        -1.3559869385       -2.2925396110        7.8127642050
  C        -7.4053300771       -6.0907484015        7.7170514296
  H        -3.6297389949       -3.4083392867        8.1052084064
  C         1.3906711408        6.2864435023        7.7101141374
  H         2.1917336059        4.2372448800        7.3914853601
  C         1.3540516768        4.8739552433        7.5742265293
  H        -5.2349743589       -6.1788413935        7.7376939744
  C         0.1105958441        4.1995894301        7.6456687232
  H        -2.0081630450        4.4246611610        7.7696567980
  C        -1.0745945325        4.9296021737        7.7365425880
  H        -9.4958984697       -6.0812223274        7.7521632114
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  H         3.9922257520        1.5603254356        7.7975354576
  O         1.4172327828        2.0223814542        7.8583541570
  H         3.9836442972       -3.3642265282        8.1949320709
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  H         1.9038801525       -2.0242537630        8.2468894021
  C         4.1280419497       -0.3698472251       -9.0200360562
  O         1.5246556778        1.0103707372       -8.6664341958
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  B         0.2995057941        1.5817200367       -9.0432092835
  C         5.3271384928        1.7107317978       -8.6964211278
  O         0.2580320806        2.9726174946       -9.2719662539
  C         6.4882925300        1.0194655623       -8.8991322981
  C        -0.9217345154        0.6568133140       -9.1501786412
  C         6.5209296548       -0.3773734866       -9.1127657452
  C        -0.9116322416       -0.8073861773       -8.9919896078
  C         5.2951085387       -1.0609488833       -9.1211514643
  C        -2.2060108589       -1.3903485597       -9.0442131990
  B        -7.2414764335       -1.2266063623       -9.1918540639
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  O        -6.0217606479       -0.6835030586       -9.0258311882
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  B        -4.8435396758       -1.3481587525       -9.1733366150
  C        -2.1622820011        1.3366918112       -9.2432924811
  O        -4.9390801154       -2.7364457891       -9.2436525285
  H        -2.1126742743        2.4682224726       -9.2974921467
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  H        -4.3307883086        1.2567924577       -9.2348803999
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  H        -2.3058114723       -2.4145096480       -9.0706368518
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  H         3.6301162285        5.6744621178       -8.9607747277
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  H        -3.9685040606       -5.0658441011       -9.1244126905
  C         1.4376263598        5.3472494352       -9.0361286562
  H        -0.7007546382        5.3607189679       -9.2960452269
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  H        -8.3442095080       -5.2683248801       -9.3337956692
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  H         7.4377084732        1.5844131905       -8.7085482224
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  H         5.4172588754        2.7553389028       -8.4725741846
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  H         3.2302919460       -0.9383353448       -9.1821442571
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  O        -1.3005151951       -2.1657942367       -5.6784839894
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  H        -5.2538187775       -5.3253156846       -6.3705353998
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  X         0.1671542080       -5.6426431167        4.5805935753
  X        -5.3015628405        3.4187620784       -5.4307836462
  X         4.8035761536        3.0299324402       -0.7973565971
  X        -3.8911990458        4.1198309531        3.5143529690
  X         5.9711064846        4.6404571331        7.1182313448
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0319733185        3.1390405123        5.3721514673
  C        -4.8376442621        3.6082767004        5.9439248947
  H        10.0306617732        4.6846607586        6.2917726355
  H        -4.5840662665        2.9235893555        6.8551067878
  C         8.7403552712        3.8088177585        4.1217352012
  H         7.6893095045        3.3665335502        3.8214882416
  H         8.4818531221        4.8988540845        4.2779499145
  C        -3.6804340995        3.5480483130        4.9684149533
  H        -3.3662750854        2.5577468341        4.7984380093
  H        -2.8352494603        4.1854320868        5.1644903768
  C        -5.2731786219        3.6090222518        3.1033317871
  H        -5.1769527746        2.5194246521        2.8208494437
  H         9.5908279366        4.2910754305        2.2548685418
  O        -4.1102455520        4.1612028410        3.7184607740
  O         6.0371998047        3.3065830647        2.0184829121
  C         4.6618766771        3.6261515802        1.7799945627
  H         4.1354392892        2.7831771202        2.1320224039
  H         4.3432184094        4.5452754464        2.2764443234
  C         6.2826321695        2.0695730278        1.2870625648
  H         7.3154264981        1.7266150561        1.5510172622
  H         5.5013099844        1.3277599229        1.5687216965
  C         4.4983586616        3.9618938094        0.3616373150
  H         5.2840281754        4.7235023384        0.1535569119
  H         3.4522074614        4.2099500064        0.1909826516
  C         6.0373682196        2.2921768839       -0.2283631763
  H         6.8918757363        2.8864418286       -0.5253441118
  H         6.0363019697        1.2500352266       -0.6524517014
  O         4.7655911374        2.9192476135       -0.5114435060
  O         5.7479927913        4.4267145789        7.1520327564
  C         6.4530701644        3.2942709319        7.5665427613
  H         5.7808009924        2.5419992735        7.9607832066
  H         7.0421585407        2.8721471087        6.7430316391
  C         4.9140000366        4.9198966235        8.2134135437
  H         4.3800034555        5.7394520999        7.7441738078
  H         4.2685682313        4.1458587993        8.6122660077
  C         7.3543721089        3.5761908990        8.8182620149
  H         8.1651969794        4.1628528453        8.3655636191
  H         7.7357563009        2.6575775494        9.3159320556
  C         5.9098128447        5.3955697805        9.3077183406
  H         6.5879347309        6.1084946436        8.8240488746
  H         5.4562814189        5.9285910372      -10.0134347201
  O         6.5750257982        4.2513294445        9.8277015595
  O         4.4811074988        6.0140662359       -6.3732488342
  C         5.7844996941        5.4098233474       -6.5560625254
  H         5.6316887349        4.3163554562       -6.6208108963
  H         6.0861994981        5.6911127229       -7.6156289063
  C         3.9421916289        5.6358709939       -5.1206478270
  H         3.1184753107        6.2314063770       -4.8363210954
  H         3.6838459066        4.5137930637       -5.2403552985
  C         6.8044985397        5.7391611688       -5.3984415113
  H        -0.5809123791       -6.2260525206       -5.4888828477
  H         7.6955680796        5.1653052888       -5.4338995392
  C         4.8597920036        5.9080705375       -3.9524578419
  H        -2.5332238414       -6.1359431306       -3.8042584244
  H         4.4718340023        5.4917146093       -3.0442233434
  O         6.2650885920        5.3715805241       -4.1334566858
  O        -5.5622902577        3.4136295964       -5.2606569342
  C        -5.0799416380        3.3411118616       -3.9146713639
  H        -4.2994010521        2.6406689566       -3.7773073522
  H        -4.6855811652        4.2938030583       -3.6354572825
  C         8.8186573478        2.2607366386       -5.6222692089
  H         8.3388690163        2.4913818651       -6.6662367097
  H        -5.5754431918        1.4220048694       -5.6556220306
  C         8.8423735909        2.9863996405       -2.9469437023
  H         8.0434734767        3.7663822353       -2.8631376947
  H        -5.9256282623        2.7823113178       -1.9191099316
  C         7.7312223235        1.9114383348       -4.6022577422
  H         7.0770911464        2.8043309943       -4.5876708970
  H         7.1305360568        1.0386314028       -4.8491069274
  O         8.3397361810        1.7576053548       -3.3391191523
  O         0.2973702753       -5.4195895144        4.7651638563
  C         1.6416787711       -5.4564291713        4.3222352953
  H         1.9554489030       -6.5275814934        4.2659413734
  H         1.6596276044       -4.9102788380        3.3201341943
  C         0.0692449594       -5.8701425144        6.1481421468
  H        -1.0334578830       -5.7046902062        6.3432335455
  H         7.8481602457        6.1417658433        6.2812435701
  C         2.5107761893       -4.7303650936        5.4385948065
  H         2.3808791748       -3.6123956041        5.3661841402
  H         3.6177609573       -4.7554060189        5.2380272696
  C         0.9392890021       -5.0584140767        7.0892274179
  H         0.6516256183       -4.0154437541        7.2032104913
  H         0.9391542574       -5.4722951747        8.0570630188
  O         2.2901059923       -5.2755830184        6.6578257834
  O         1.5376010538       -6.2019651787        0.0789476191
  C         0.4234537132       -6.4305314176        1.0615858099
  H         7.7079961883        5.5509494528        0.9264681087
  H         0.7871584671       -6.2952696516        2.0622587631
  C         1.1076752066       -6.4379967538       -1.2613518193
  H         2.0466137697       -6.4286671187       -1.8920455575
  H         8.2751634231        5.5820271295       -1.4025237071
  C        -0.7776844148       -5.5704536762        0.7240399299
  H        -0.4423423997       -4.5191444850        0.8345642622
  H        -1.6279358510       -5.7716215812        1.3786099305
  C        -0.0660144132       -5.5513627333       -1.6029389251
  H         0.1946418774       -4.4749247664       -1.4286110269
  H        -0.4361176381       -5.5844557687       -2.6102744857
  O        -1.1430228018       -5.8673042230       -0.6600914298
  C         1.1600564133       -2.2778011649        1.2342964207
  O        -1.4203222024       -0.8864574229        1.2197161067
  C         1.1768146697       -0.8450626404        1.1684284670
  B        -2.6432704841       -0.1779570893        1.0952162523
  C         2.4618850273       -0.2197917480        1.2445806416
  O        -2.6873225610        1.2232740609        0.9277234793
  C         3.6455791291       -0.9226186014        1.3210814276
  C        -3.9777805184       -0.9409901110        1.1868381792
  C         3.6057681997       -2.3508391719        1.2437445823
  C        -4.0197467536       -2.3243444031        1.0728196730
  C         2.3563093925       -3.0004735388        1.1335397780
  C        -5.2787286526       -3.0113373467        1.0323997322
  B         4.9441033410       -3.1326411288        1.2805240724
  C        -6.4732415674       -2.2655551477        1.1172216121
  O         6.0963638815       -2.3884145326        1.1721669401
  C        -6.4381206372       -0.8827759190        1.1582653791
  B        -7.7777140961       -3.0651944994        1.1766214389
  C        -5.2334303373       -0.2484825087        1.1240510125
  O        -7.7805808672       -4.5090335935        1.1261319726
  H        -5.1829829422        0.8516764238        1.2324723169
  B        -8.9466496060       -5.2343816263        1.2416391277
  H        -7.4115576312       -0.4443516671        1.2552611806
  O         4.9020100994       -4.5263865573        1.3317339494
  H        -3.0476148992       -2.8384589611        1.0229854615
  C        -1.3259621264        6.2642320768        1.1501107067
  H        -5.3578458935       -4.1190458960        0.9599132372
  C        -0.1726416351        5.5315625969        1.0966451995
  H         0.7652758549        3.6653151599        1.1220728025
  C        -0.1739715488        4.1261135431        1.0242753379
  H         0.8160773243        6.0041162897        1.2073605619
  C        -1.4344332458        3.4954850716        0.8544981700
  H        -3.5258379613        3.8224650119        0.5866448563
  C        -2.5337887269        4.2698916984        0.7712828010
  H        -3.4926342914        6.2206591112        0.8595730169
  C        -2.5539251815        5.6504817220        0.8797935073
  H         4.6198672586       -0.4429464820        1.3756946773
  B        -1.4605983449        1.9259240775        0.8846368874
  H         2.4264321794        0.8508133524        1.1147033307
  O        -0.2496464391        1.2626027274        0.9514901258
  H         2.2626313192       -4.0877237624        1.1016046117
  B        -0.1952378605       -0.1573914572        1.1322173802
  H         0.2281178484       -2.7645283966        1.2272620230
  C         5.0333741224       -1.3396462287        4.3565961037
  O         2.5240382369        0.1728659179        4.4335757492
  C         5.0289383608        0.0095839380        4.5402905635
  B         1.3778120002        0.8956037199        4.1533491649
  C         6.2521974931        0.7201750644        4.6976135017
  O         1.5010976059        2.3234539725        3.9686451863
  C         7.4512408557        0.0681107128        4.7627459466
  C        -0.0085325048        0.2339017119        4.1617686236
  C        -7.5928655539       -1.3526383111        4.5033266892
  C         0.0352131852       -1.1170442418        4.5245070130
  C         6.2646059121       -2.0654604978        4.4375324558
  C        -1.2143164139       -1.8973357750        4.5962146591
  B        -6.2119217464       -2.1664956227        4.4833507635
  C        -2.4819640623       -1.2033975429        4.4119310465
  O        -5.0020238727       -1.4212200089        4.1785374934
  C        -2.5201410151        0.1780781328        4.1778755757
  B        -3.7640499311       -2.0900425641        4.4308005414
  C        -1.2692209326        0.9025681346        3.9871982375
  O        -3.7094977534       -3.5057372943        4.4051168524
  H        -1.4245688653        1.9351744432        3.6879404626
  B        -4.8729724751       -4.2266757073        4.6354040632
  H        -3.4299978757        0.7286523945        3.9180160242
  O        -6.1110853148       -3.4999439104        4.6663852827
  H         0.9251650650       -1.7311865898        4.7936833997
  C        -4.7898716541       -5.7934448743        4.4885645083
  H        -1.1866908714       -2.9686605132        4.7866888050
  C         3.9032701121        6.5230743079        4.7778389880
  H         4.8443308640        4.7227795664        5.0855864990
  C         3.9254191727        5.1355609590        4.7592656317
  H        -2.7143810377       -5.9940268222        5.0083718226
  C         2.6626115599        4.4798649100        4.4523901892
  H         0.6421643839        4.7604370632        3.7423790601
  C         1.5811427090        5.2111858904        3.9450767708
  H        -6.8610854909       -5.8403566046        3.8116802853
  C        -5.9620381214       -6.4776945659        4.0346175356
  H        -6.7441345938        0.6350630589        4.7457106606
  B         2.6231434882        2.9206902274        4.4655462271
  H         6.2104217614        1.7696015989        4.8502374249
  O         3.7771770225        2.1627038244        4.8820618969
  H        -8.7466117507       -3.1785458833        4.5014598588
  B         3.7445381203        0.7913558665        4.6621060838
  H         4.1201196603       -1.8917849218        4.0861384291
  C         2.8364159135       -1.5718952890        8.0127870994
  O         0.3094561996       -0.0589942243        7.8904325248
  C         2.8037229545       -0.1407946432        7.9234935458
  B        -0.9197519804        0.5370098903        7.5903093857
  C         4.0621385835        0.4735871507        7.8595748927
  O        -0.9863560538        1.9547608489        7.2727244243
  C         5.2478786256       -0.1955446811        7.9058574445
  C        -2.1940078819       -0.2960237830        7.6585318602
  C         5.2458115258       -1.5652596336        7.9405017436
  C        -2.2749907801       -1.7167828240        7.8220100511
  C         4.0206247149       -2.2521288615        8.0334491491
  C        -3.5088363871       -2.3568990853        7.9229286166
  B        -8.5105939943       -2.3697759451        7.9008215775
  C        -4.7051242550       -1.6991564210        7.8291220594
  O        -7.2736529933       -1.7392593091        7.8682495604
  C        -4.6200425545       -0.2759971114        7.8332959521
  B        -6.0231088103       -2.4637196654        7.8563855355
  C        -3.4064491858        0.4200095762        7.7856322332
  O        -6.0853551848       -3.8630059549        7.8069807388
  H        -3.2946801666        1.5254932890        7.6755304209
  B        -7.3421684811       -4.5133359321        7.6623078742
  H        -5.5027886890        0.3178148413        7.9641825784
  O        -8.5421137902       -3.7809587332        7.7386239792
  H        -1.3486524690       -2.2700414879        7.8304771550
  C        -7.3936529487       -6.1058515197        7.7000538148
  H        -3.5919075950       -3.4565966475        8.0563946404
  C         1.3907035036        6.2699917599        7.7139160052
  H         2.1647336887        4.2025309589        7.4752823035
  C         1.3472808691        4.8970926790        7.5612508038
  H        -5.2478839600       -6.2599523408        7.7174814030
  C         0.1181573177        4.2141921949        7.6350930750
  H        -2.0497258255        4.4011198409        7.7427946914
  C        -1.0808004656        4.9116650766        7.7322472478
  H        -9.5248516527       -6.0547359452        7.7214468444
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  H         4.0651964106        1.5697212214        7.8007481547
  O         1.4107937372        2.0111088075        7.8564368693
  H         3.9906849473       -3.3435148286        8.2114875559
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  H         1.8916567388       -2.0681234386        8.2820364179
  C         4.1457334505       -0.3797395030       -9.0075400985
  O         1.5144908532        1.0163534026       -8.6619155571
  C         4.0895169199        0.9862960031       -8.8396791063
  B         0.3050060083        1.5700337331       -9.0285042103
  C         5.3125655033        1.7090454463       -8.6908576596
  O         0.2671327084        2.9692076653       -9.2815359887
  C         6.4936857835        1.0211467027       -8.8959532718
  C        -0.9297807805        0.6525781219       -9.1546415388
  C         6.5210401279       -0.3706214633       -9.1087353461
  C        -0.9200217537       -0.7980623510       -9.0052808106
  C         5.2978200856       -1.0738246092       -9.1348740909
  C        -2.1944772636       -1.3910537145       -9.0458896763
  B        -7.2323655822       -1.2452046291       -9.1581113608
  C        -3.4684034832       -0.6422489699       -9.1822573649
  O        -6.0173163041       -0.6711632736       -9.0197103917
  C        -3.4199902908        0.7278798008       -9.1883414411
  B        -4.8245875080       -1.3439916981       -9.1798670527
  C        -2.1722100465        1.3488017979       -9.2234802197
  O        -4.9418320501       -2.7461617103       -9.2491925386
  H        -2.0926556634        2.4086763120       -9.2522203905
  B        -6.1809112678       -3.3757072772       -9.1788442607
  H        -4.3045268323        1.2796123580       -9.1970651081
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  H        -2.3459293488       -2.4704934909       -9.1083440456
  C        -4.9444770890       -5.6009662584       -9.1846846069
  H         3.6287897377        5.6172274027       -8.9388604401
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  H        -3.9536004184       -5.0765034406       -9.0658566981
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  H        -8.3611546787       -5.1930479637       -9.2902382332
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  H         7.4376932311        1.5529319100       -8.7468724428
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  H         5.4511215121        2.7890477140       -8.4909384229
  O         2.7075455494        3.1282821548       -9.0213209889
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  H         3.2119121481       -0.9245254223       -9.1424884489
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  O        -1.3065788429       -2.1543616944       -5.6883929938
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  O        -2.4559966293       -0.0572427594       -5.6710112471
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  O        -7.5664467870       -5.7417156681       -6.0014196677
  H        -4.9132920706       -0.3760595192       -5.5215613805
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  H        -2.9332085281       -4.1359885360       -6.0969339872
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  X        -0.6480970480        4.8065617493       -2.8574687577
  X        -1.3682983552       -5.6747734206       -0.7298441511
  X         4.3075940709        5.8792526069       -6.5762086865
  X         2.0890676391       -5.0889662140        4.8612133972
  X        -3.8816664059        4.1132913413        3.5294934205
  X         8.1194056022        1.6924069971       -3.1479350275
  X         6.0681195471        3.2330432591        2.3175082136
  X         6.7704144689        4.3513600086       10.0343548535
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0413166372        3.1212072395        5.3720320120
  C        -4.8310185075        3.6088509102        5.9656849431
  H        10.0377815431        4.6258237437        6.3138133310
  H        -4.6088379805        2.9939849448        6.7931702158
  C         8.7311845659        3.8127746916        4.1196770567
  H         7.7306684261        3.3468502599        3.8352700683
  H         8.4622826023        4.8852118076        4.2994716817
  C        -3.6762626863        3.5631944482        4.9585986118
  H        -3.3728380164        2.4829347793        4.8283409847
  H        -2.7882824452        4.2388136096        5.1763454447
  C        -5.2867397559        3.6026976328        3.1141192363
  H        -5.1547301943        2.4944231482        2.8668323061
  H         9.5949400237        4.2791824413        2.2228968089
  O        -4.0959218105        4.1566082923        3.7332362981
  O         6.0301321119        3.2961343413        2.0293706118
  C         4.6390083013        3.6232167303        1.7892416101
  H         4.0679413717        2.7426384820        2.1425229837
  H         4.4025176498        4.5804184017        2.3439181393
  C         6.2740037336        2.0622646166        1.2731119522
  H         7.3040746666        1.7002255041        1.5580565075
  H         5.5400877030        1.3193266699        1.5578709134
  C         4.4980061579        3.9670441881        0.3679189321
  H         5.2217391633        4.7632053771        0.1521352418
  H         3.4076183505        4.1814390808        0.1718414326
  C         6.0353913430        2.2898304322       -0.2382016284
  H         6.9032933900        2.8988349221       -0.5795325707
  H         6.0638644061        1.2634407695       -0.6168491779
  O         4.7692806188        2.9211530733       -0.5023259630
  O         5.7385641922        4.4226855900        7.1587233155
  C         6.4808208067        3.2848265801        7.5587018151
  H         5.7038600339        2.5670173595        7.9503648348
  H         7.0209492569        2.8530783643        6.7148957004
  C         4.9130143976        4.9237383807        8.2038968825
  H         4.3849525878        5.7304001633        7.7586131249
  H         4.2934935513        4.1440597903        8.6373943551
  C         7.3768326171        3.5848242973        8.8030646266
  H         8.2061341431        4.2086653600        8.4672816511
  H         7.7518842216        2.7037098429        9.2947938758
  C         5.9047044702        5.3946804638        9.3155380800
  H         6.6526849252        6.1599150392        8.7927132515
  H         5.4313329760        5.9318163834       -9.9934976659
  O         6.5759928339        4.2495165202        9.8337530170
  O         4.4784716834        6.0108670429       -6.3717803453
  C         5.7847737022        5.3995449880       -6.5350780035
  H         5.5869903281        4.2972164547       -6.5703591176
  H         6.0232249397        5.6976771580       -7.5700472600
  C         3.9578923378        5.6270414798       -5.1308649006
  H         3.1047451743        6.2903247833       -4.8915963245
  H         3.7123098886        4.4916603762       -5.1550051705
  C         6.8203825435        5.7366017181       -5.3980459151
  H        -0.6119977699       -6.2420074491       -5.4607551607
  H         7.7560323319        5.1611368117       -5.3893404421
  C         4.8591487327        5.9042350824       -3.9332488825
  H        -2.4900270258       -6.1039132239       -3.7921464720
  H         4.4772973753        5.4789419303       -3.0421544664
  O         6.2748716586        5.3750878671       -4.1188349966
  O        -5.5738082664        3.4051980943       -5.2553698527
  C        -5.0905836841        3.3455181589       -3.8895422873
  H        -4.2609657604        2.6612734391       -3.7541141309
  H        -4.6938800692        4.3477320330       -3.6177781764
  C         8.8169343362        2.2666760845       -5.6137048351
  H         8.3601773607        2.4984792272       -6.6012290221
  H        -5.6341670874        1.3478941386       -5.7478857244
  C         8.8468854692        2.9815963367       -2.9479959932
  H         8.1005633783        3.8021733215       -2.9138629291
  H        -5.8815483889        2.7998277211       -1.9609236646
  C         7.7080648442        1.8872666385       -4.6112263579
  H         7.1167340513        2.7897432931       -4.5848067251
  H         7.0749834832        1.0718883403       -4.8930486964
  O         8.3290751656        1.7610802440       -3.3498879970
  O         0.2925583495       -5.4099269647        4.7865972034
  C         1.6371641260       -5.4717712057        4.3283706859
  H         2.0432405817       -6.4684490111        4.1823350301
  H         1.6612079437       -4.9842362292        3.3793582430
  C         0.0682115771       -5.8813957640        6.1503067173
  H        -1.0492130532       -5.6719246968        6.3468642025
  H         7.8487236545        6.1488988115        6.2881694108
  C         2.5122176701       -4.6988017268        5.4147573249
  H         2.3024424742       -3.6690438682        5.3663890014
  H         3.5495915034       -4.8272747068        5.2658963817
  C         0.9473905753       -5.0560655664        7.0996740132
  H         0.7590627631       -3.9695092780        7.2053102833
  H         0.9050791250       -5.5148287117        8.0843350250
  O         2.2989703811       -5.2854049636        6.6544913220
  O         1.5393655721       -6.2038272097        0.0731855089
  C         0.4394355810       -6.4272160062        1.0536206868
  H         7.6955401332        5.5319559164        0.9568333422
  H         0.7938608986       -6.2652272387        2.1397509733
  C         1.1018388365       -6.4387259916       -1.2559543536
  H         2.0067207028       -6.3663194752       -1.8595182904
  H         8.1683245743        5.6419845786       -1.4563861050
  C        -0.7706978261       -5.5796193885        0.7285992957
  H        -0.4422523436       -4.5497276750        0.9114483483
  H        -1.5419897153       -5.8112952099        1.3923051197
  C        -0.0549834015       -5.5412344777       -1.6091193681
  H         0.1769338713       -4.4688633771       -1.3726683364
  H        -0.4204149364       -5.5543836489       -2.6045723249
  O        -1.1361209376       -5.8715567680       -0.6686270959
  C         1.1591398915       -2.2831931531        1.2173128486
  O        -1.4325238193       -0.8795898073        1.1879116180
  C         1.1862914439       -0.8509584070        1.1655236173
  B        -2.6612668328       -0.1634863497        1.0868959982
  C         2.4496541066       -0.2388862616        1.2560410974
  O        -2.6824781820        1.2360156557        0.9266157956
  C         3.6588185796       -0.9296823850        1.3121962795
  C        -3.9781670381       -0.9529030430        1.1972988804
  C         3.6077337547       -2.3483918255        1.2362227288
  C        -4.0147190757       -2.3125857791        1.0602778609
  C         2.3480241074       -3.0022956763        1.1449897619
  C        -5.2835371302       -3.0108771960        1.0322514839
  B         4.9478356101       -3.1412129625        1.2851935613
  C        -6.4951359776       -2.2657913663        1.0991253469
  O         6.0922795818       -2.3817171214        1.1582273990
  C        -6.4197502895       -0.8931295158        1.1626279269
  B        -7.7756850670       -3.0661310124        1.1759335090
  C        -5.2187726985       -0.2469855815        1.1277177404
  O        -7.7787251823       -4.4868770167        1.1338389143
  H        -5.1937660388        0.8350654415        1.2677932406
  B        -8.9409823335       -5.2336580219        1.2403347201
  H        -7.3994677815       -0.4527069555        1.2744531230
  O         4.9162078982       -4.5173115534        1.3543577832
  H        -3.0334992633       -2.8040229647        1.0643533224
  C        -1.3293426855        6.2776972090        1.1549008607
  H        -5.3106769195       -4.1242930695        0.8806932585
  C        -0.1626933625        5.5301608554        1.1011897918
  H         0.8118110143        3.6147460539        1.1045272930
  C        -0.1755916737        4.1187493670        1.0179475156
  H         0.8197953938        5.9733875688        1.1571062676
  C        -1.4226393814        3.5038998425        0.8385901046
  H        -3.5050732671        3.9043546946        0.6283950033
  C        -2.5499479711        4.2589648474        0.7700775610
  H        -3.4956785430        6.2169897511        0.8650305759
  C        -2.5659039376        5.6467391252        0.8904454389
  H         4.6191027969       -0.3697270956        1.3469482173
  B        -1.4634969245        1.9261638344        0.8936967019
  H         2.4443972515        0.8681013253        1.1515044660
  O        -0.2540428645        1.2593672174        0.9503906198
  H         2.2571128422       -4.1067895855        1.1612864984
  B        -0.1985455835       -0.1573597228        1.1229987283
  H         0.2349123067       -2.7565663655        1.2356406895
  C         5.0254072420       -1.3501644645        4.3329030248
  O         2.5207107843        0.1623988990        4.4241838767
  C         5.0231663429        0.0238390421        4.5458029764
  B         1.4059079910        0.8984562896        4.1575849396
  C         6.2607332369        0.7284021962        4.7008284300
  O         1.4864785283        2.3208827792        3.9667004369
  C         7.4571321900        0.0935975900        4.7485169748
  C        -0.0117538908        0.2434578546        4.1524621177
  C        -7.6019666865       -1.3585589440        4.5114468435
  C         0.0260142984       -1.1104967025        4.5105210785
  C         6.2706572743       -2.0682606710        4.4453321051
  C        -1.2248135798       -1.8990857973        4.5950858320
  B        -6.2234205251       -2.1917530647        4.4645131161
  C        -2.4753027944       -1.1933143721        4.3939868508
  O        -5.0143217335       -1.4289956707        4.1829914524
  C        -2.5140811879        0.1863871038        4.1880720156
  B        -3.7569173816       -2.0831549130        4.4066998680
  C        -1.2533155161        0.8919450302        3.9861692660
  O        -3.7046662960       -3.4939330835        4.4142842447
  H        -1.4328020110        1.9499162052        3.7085238794
  B        -4.8751013237       -4.2087025626        4.6247017838
  H        -3.4287571346        0.7592804500        3.9099968633
  O        -6.1104883707       -3.5122416948        4.6675127127
  H         0.8756174084       -1.6818055104        4.8161900592
  C        -4.7879635559       -5.8001308017        4.4971425558
  H        -1.2123936921       -2.9593470564        4.7774267463
  C         3.9185487740        6.5203209234        4.7564563717
  H         4.8407347686        4.6198699873        5.0829150174
  C         3.9051045867        5.1418754202        4.7869863776
  H        -2.7399384668       -6.0185374114        5.0128432330
  C         2.6611625917        4.4827409380        4.4337614653
  H         0.6161796740        4.7604287801        3.7624325306
  C         1.5941106949        5.2083680249        3.9425062348
  H        -6.7712126248       -5.8256397063        3.7741776529
  C        -5.9446904375       -6.4919698578        4.0368297530
  H        -6.7291149740        0.6597041886        4.7579363037
  B         2.6219841890        2.9276053862        4.4762883239
  H         6.1882970804        1.8077017022        4.8123301798
  O         3.7593221601        2.1655321978        4.8923922160
  H        -8.7950195609       -3.1638278437        4.4992411243
  B         3.7328108118        0.7919979944        4.6803978338
  H         4.1374973676       -1.8981578296        4.0650268752
  C         2.8617023350       -1.5863275898        8.0188332965
  O         0.3104696347       -0.0671484260        7.8943850444
  C         2.8129698315       -0.1365211733        7.9236983888
  B        -0.9202689054        0.5365921658        7.5849060533
  C         4.0545276907        0.4748461167        7.8353510835
  O        -0.9818281996        1.9534472193        7.2856036241
  C         5.2532375645       -0.1777683872        7.9192483555
  C        -2.1967577296       -0.2794258797        7.6686968156
  C         5.2449459339       -1.5390781250        7.9532327357
  C        -2.2874655949       -1.7165929355        7.8048057851
  C         4.0235469866       -2.2501574791        8.0439814067
  C        -3.5039489851       -2.3664721928        7.9193198040
  B        -8.5102321004       -2.3903011163        7.8921810884
  C        -4.7008626802       -1.7060156739        7.8333978892
  O        -7.2671670374       -1.7347432756        7.8941525793
  C        -4.6241597398       -0.2576712081        7.8382823715
  B        -6.0529584840       -2.4586866392        7.8671195384
  C        -3.3939753555        0.4166807510        7.7862956674
  O        -6.1075673107       -3.8583623405        7.8031864787
  H        -3.2761483575        1.4876912390        7.6612664746
  B        -7.3144838101       -4.5040108796        7.6688054171
  H        -5.4945446132        0.3617759029        7.9812485282
  O        -8.5467358959       -3.8015535825        7.7442371026
  H        -1.3287222392       -2.2656592231        7.8530472860
  C        -7.3763961078       -6.1124360863        7.6808563481
  H        -3.5287329183       -3.4774600806        8.0001080708
  C         1.3850181691        6.2523258656        7.7129176178
  H         2.1894850832        4.1904881577        7.5601434275
  C         1.3383437010        4.9184407111        7.5524779729
  H        -5.2218280009       -6.3119016508        7.6970980459
  C         0.1248782218        4.2271745126        7.6237408965
  H        -2.0840903128        4.3664801127        7.7226675665
  C        -1.0917729422        4.8997386102        7.7268483094
  H        -9.5105465391       -6.1070246515        7.6893873567
  C        -1.0751256844        6.3306438278        7.7191078525
  H         6.2345093591        0.2756368300        7.7934059476
  B         0.1413939192        2.6856773441        7.5678806396
  H         4.1397296491        1.5715900126        7.8060459760
  O         1.4006534621        2.0037380638        7.8544135395
  H         4.0071441920       -3.3036617003        8.2093932394
  B         1.4893889324        0.6568318771        7.9093193633
  H         1.8819088987       -2.1183971077        8.2880892778
  C         4.1536029948       -0.3930777366       -8.9960533191
  O         1.5081032102        1.0233294909       -8.6577175578
  C         4.0972097714        0.9841955997       -8.8328465197
  B         0.3132241777        1.5627105477       -9.0152325499
  C         5.2947074465        1.7078844567       -8.6872739001
  O         0.2794079368        2.9659278563       -9.2877185716
  C         6.5022674586        1.0211603096       -8.8919515597
  C        -0.9417290995        0.6467731583       -9.1566603909
  C         6.5247997108       -0.3677222641       -9.1041976606
  C        -0.9349548274       -0.7834597691       -9.0227097970
  C         5.3117609894       -1.0869979885       -9.1459933823
  C        -2.1900749519       -1.3891106509       -9.0512982518
  B        -7.2314310044       -1.2561615120       -9.1209165739
  C        -3.4605825929       -0.6465912154       -9.1883770271
  O        -6.0081861870       -0.6525038892       -9.0145052044
  C        -3.4205203698        0.7498047374       -9.1791319701
  B        -4.8109109668       -1.3505979137       -9.1830577630
  C        -2.1791170895        1.3566967144       -9.2035652232
  O        -4.9413316814       -2.7554503081       -9.2539108021
  H        -2.0765805237        2.4026901350       -9.2084703857
  B        -6.1872086604       -3.4132549144       -9.1850319331
  H        -4.3549406917        1.3581909848       -9.1597800788
  O        -7.3138064910       -2.6119793975       -9.2288776846
  H         0.0611296131       -1.3082292592       -9.0586137021
  C        -6.1881791338       -4.9348599608       -9.2755321880
  H        -2.3576720316       -2.5406487358       -9.1337803786
  C        -4.9433786703       -5.5969139911       -9.1595919862
  H         3.5898094608        5.5498214767       -8.9153527218
  C         2.6429009570        6.0881287094       -9.0499845970
  H        -4.0001367569       -5.0873696963       -9.0296973795
  C         1.4669383191        5.3192022742       -9.0280547418
  H        -0.7518074764        5.4210111012       -9.2399986020
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  H        -8.3714846378       -5.1291766666       -9.2608822704
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  H         7.4414401997        1.5214747212       -8.7985982784
  B         1.4587044949        3.7423533133       -9.0798298972
  H         5.4415368667        2.8033739734       -8.5190708453
  O         2.7173235401        3.1292577867       -9.0157868302
  H         5.3947894375       -2.1750432749       -9.1824777941
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  H         3.1840761804       -0.9192647116       -9.0885964667
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  O        -1.3039458348       -2.1431195278       -5.6960989684
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  B        -2.4904297493       -1.4788901376       -5.6726213906
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  O        -2.4429474724       -0.0651191953       -5.6918000384
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  C        -3.8901532799       -2.1746756962       -5.7386286980
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  C        -3.9113178766       -3.5842959777       -6.0890796565
  C         2.4970128712       -4.3142097940       -5.7879042713
  C        -5.1303976797       -4.2902319332       -6.1859841071
  B       -10.0635594569       -4.4402484350       -6.2906034780
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  C        -5.0769051964       -1.4555868932       -5.6633275429
  O        -7.5583284026       -5.7318853024       -6.0030346182
  H        -4.9820727799       -0.3674970249       -5.4775912675
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  X         5.8468864419        1.2961466644       -9.0892239692
  X        -0.7161079593        4.7773047632       -2.2767027120
  X         3.0909549616       -1.9679212479       -5.6519099630
  X        -1.3653397982       -5.6818186218       -0.7373361021
  X         6.2542162829        5.0654239123       -4.1374750244
  X        -3.8688769108        4.1042867214        3.5446458640
  X         5.9390607509        4.6466194046        7.1157346999
  X         4.7031029210        3.3166137900       -0.1416668903
  X         9.1044595719        2.8685332686       -2.2843793270
  X         0.2413355443       -5.1117779264        4.8084474645
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0519600408        3.1050580769        5.3716683506
  C        -4.8260843040        3.6142400094        5.9810106831
  H        10.0677014459        4.5843968366        6.3425887462
  H        -4.6279622330        3.0109076076        6.7959687416
  C         8.7103013477        3.8113124261        4.1215775185
  H         7.8257571580        3.3386156056        3.8439290078
  H         8.4731315166        4.8494610764        4.3190579376
  C        -3.6721201624        3.5807090107        4.9482911622
  H        -3.3829420088        2.4541255962        4.8534321853
  H        -2.7726602241        4.2314434455        5.2230449027
  C        -5.2971827421        3.5996548975        3.1261779530
  H        -5.1379117684        2.5295859778        2.9145177933
  H         9.6268027130        4.2113607726        2.2204962972
  O        -4.0813342378        4.1523447911        3.7439887127
  O         6.0226717033        3.2838744315        2.0407066614
  C         4.6222772538        3.6254478028        1.8050149368
  H         3.9754724480        2.7210657483        2.1486595015
  H         4.4661362120        4.5531850364        2.4141353346
  C         6.2676955626        2.0588604172        1.2597932634
  H         7.2564926447        1.6966036232        1.5421282650
  H         5.5674185061        1.2826874853        1.5826152069
  C         4.4910273491        3.9733521431        0.3728194040
  H         5.1386469463        4.8383253465        0.1487929116
  H         3.4136805277        4.1931852110        0.1486340209
  C         6.0373853060        2.2890201908       -0.2433964495
  H         6.8910952430        2.9074410206       -0.6605704453
  H         6.0791571365        1.2859268737       -0.6318605090
  O         4.7752955553        2.9144362198       -0.4962170977
  O         5.7293688319        4.4190489445        7.1613669549
  C         6.5049757696        3.2697788189        7.5612976135
  H         5.6606468850        2.5884618911        7.9188364877
  H         7.0069875258        2.8472685499        6.6823529349
  C         4.9224839244        4.9268337329        8.2010468548
  H         4.3472416320        5.7621416272        7.7580181992
  H         4.2875355429        4.1249247455        8.6607507191
  C         7.3936213350        3.5968143147        8.7851303510
  H         8.2702819245        4.2804329961        8.5794137920
  H         7.7797414261        2.7159169973        9.2703845165
  C         5.9010144586        5.3992932977        9.3193473829
  H         6.6622368508        6.1398331617        8.8144824258
  H         5.4129395271        5.9068189923      -10.0007284067
  O         6.5800205955        4.2483047628        9.8377866299
  O         4.4794696083        6.0091447686       -6.3691131342
  C         5.7846062453        5.3862708472       -6.5154119164
  H         5.5609631095        4.2947738013       -6.5089415956
  H         6.0045777259        5.7096150977       -7.5057964123
  C         3.9721798438        5.6131278822       -5.1347386719
  H         3.0622178518        6.3183932253       -4.9683512866
  H         3.7324574357        4.5436338295       -5.0655733696
  C         6.8270828503        5.7370299902       -5.3965416398
  H        -0.6118252224       -6.2551973523       -5.4219895479
  H         7.8229616647        5.1744522161       -5.3940765968
  C         4.8726843307        5.9016421448       -3.9211243613
  H        -2.4744967210       -6.0471077391       -3.7750804635
  H         4.4729565818        5.4346688809       -2.9877971592
  O         6.2781746735        5.3770605577       -4.1031590267
  O        -5.5809733077        3.3995450019       -5.2474284279
  C        -5.1035679702        3.3543555388       -3.8608617934
  H        -4.2053577524        2.6406926920       -3.7430285221
  H        -4.7138610742        4.3983902955       -3.6181862457
  C         8.8114743286        2.2603613280       -5.6106598498
  H         8.3847115471        2.5020036089       -6.5291602887
  H        -5.6972223263        1.3189993272       -5.8368417525
  C         8.8562439011        2.9803326635       -2.9501583222
  H         8.1552541232        3.8256922093       -2.9714133326
  H        -5.8163357117        2.8231555086       -1.9457373289
  C         7.6908995373        1.8724435131       -4.6225650721
  H         7.0950748670        2.7979331842       -4.5723555911
  H         7.0192213570        1.0487151729       -4.9362701271
  O         8.3140669442        1.7563351861       -3.3595538737
  O         0.2844484656       -5.4030296472        4.8075270009
  C         1.6392755161       -5.4828590112        4.3446845069
  H         2.1289295401       -6.4388566282        4.1142085197
  H         1.6623237907       -5.0173281831        3.3965657226
  C         0.0632370728       -5.8810208066        6.1525730968
  H        -0.9934658186       -5.6659116557        6.3374056316
  H         7.8491812037        6.1236306294        6.2917759640
  C         2.5106747501       -4.6754493239        5.3815643592
  H         2.1950744468       -3.6372732280        5.3820261730
  H         3.5593890530       -4.9092778818        5.2503704618
  C         0.9560494032       -5.0603332647        7.1095214340
  H         0.8493951961       -3.9302680190        7.1858536572
  H         0.8668669944       -5.5553982231        8.1425823113
  O         2.3058013724       -5.2932459340        6.6565244758
  O         1.5387130486       -6.2059044559        0.0723025724
  C         0.4582515416       -6.4302475958        1.0451695565
  H         7.7013436126        5.5831541285        0.9970304991
  H         0.7925496952       -6.2378565685        2.1262963793
  C         1.0931366794       -6.4424932672       -1.2532916576
  H         1.9717058960       -6.2839360390       -1.8472432858
  H         8.1010704709        5.6967792820       -1.4764224699
  C        -0.7525816189       -5.5888446907        0.7242657702
  H        -0.4656406685       -4.5560398536        0.9604374790
  H        -1.5458485445       -5.8760827380        1.4446115014
  C        -0.0442462425       -5.5209834676       -1.6031249690
  H         0.1751175088       -4.4780842946       -1.3283150273
  H        -0.4333108721       -5.5620713710       -2.6508741788
  O        -1.1308084860       -5.8737928029       -0.6765639108
  C         1.1672443351       -2.2801223322        1.1983171108
  O        -1.4421563817       -0.8668477557        1.1549822401
  C         1.1958336777       -0.8643099888        1.1655717539
  B        -2.6723524634       -0.1474075235        1.0789771859
  C         2.4347086121       -0.2515791208        1.2622098886
  O        -2.6766768127        1.2468253858        0.9251529301
  C         3.6709869026       -0.9379523805        1.3016301729
  C        -3.9844879233       -0.9560813365        1.2009255004
  C         3.6101349358       -2.3455378663        1.2294865105
  C        -4.0145315498       -2.3106988771        1.0494758002
  C         2.3383469115       -3.0062744732        1.1607637379
  C        -5.2804777406       -3.0114176665        1.0298722612
  B         4.9451139651       -3.1479618509        1.2865931664
  C        -6.5073854196       -2.2758311538        1.0829520434
  O         6.0916793840       -2.3776573754        1.1442210863
  C        -6.4057910931       -0.9020241574        1.1653065864
  B        -7.7837070991       -3.0704609744        1.1728058973
  C        -5.1994288363       -0.2410787729        1.1368637965
  O        -7.7768479455       -4.4607743105        1.1426250270
  H        -5.2054854517        0.8219350421        1.2833978550
  B        -8.9366808165       -5.2309150031        1.2393182678
  H        -7.3859830414       -0.4085447315        1.2922817081
  O         4.9362859168       -4.5113991730        1.3766975243
  H        -3.0346593155       -2.7911020294        1.0969621995
  C        -1.3411913857        6.2985867345        1.1570338751
  H        -5.2632892057       -4.0753308237        0.8218076004
  C        -0.1493153822        5.5231501062        1.1068542256
  H         0.8124449334        3.5569983933        1.0816893402
  C        -0.1764731731        4.1201898628        1.0103321714
  H         0.8297066502        5.9699698828        1.1206206681
  C        -1.4034949706        3.5007541123        0.8244307185
  H        -3.5821836202        3.8976034254        0.6473185647
  C        -2.5701256288        4.2589952715        0.7681424064
  H        -3.4981159333        6.2113717405        0.8684896603
  C        -2.5746153018        5.6404223878        0.9049565246
  H         4.5886992855       -0.3242632164        1.3197195648
  B        -1.4704415217        1.9302896426        0.9003276892
  H         2.4725723183        0.8632726187        1.1994133031
  O        -0.2580074833        1.2524325019        0.9494371097
  H         2.2803599410       -4.1046915539        1.2076162952
  B        -0.2079672255       -0.1522531307        1.1133905694
  H         0.1569766004       -2.8004384013        1.2417389943
  C         5.0266247826       -1.3661063647        4.3127926129
  O         2.5180759739        0.1518201510        4.4146230741
  C         5.0217702822        0.0372531272        4.5507367520
  B         1.4285640517        0.9090172460        4.1601431205
  C         6.2607482532        0.7385064919        4.7062074997
  O         1.4733752548        2.3116556470        3.9667554281
  C         7.4672150221        0.1075363848        4.7267279308
  C        -0.0107656745        0.2523649979        4.1449532187
  C        -7.6097779695       -1.3623447374        4.5261469173
  C        -0.0048623269       -1.1153302187        4.4974380799
  C         6.2762410881       -2.0657348290        4.4525050814
  C        -1.2329456012       -1.8846664555        4.5902583841
  B        -6.2299460120       -2.2004228311        4.4426569267
  C        -2.4650415790       -1.1903746664        4.3797464565
  O        -5.0272712911       -1.4445083561        4.1919354994
  C        -2.4966639886        0.1992021738        4.1929627880
  B        -3.7575845434       -2.0709835975        4.3758598237
  C        -1.2503013029        0.8805480142        3.9866328845
  O        -3.7005150112       -3.4789233690        4.4267754850
  H        -1.3864874001        1.9436862129        3.7352305832
  B        -4.8754617838       -4.1931109304        4.6076860010
  H        -3.4061828721        0.7470346771        3.9340126537
  O        -6.1090084481       -3.5329128995        4.6718416992
  H         0.8809986300       -1.6235203271        4.8229911009
  C        -4.7924152284       -5.8056755074        4.5036528216
  H        -1.2350845295       -2.9720424428        4.7700362360
  C         3.9325268600        6.5211408363        4.7375896688
  H         4.7933410708        4.5110820157        5.0746090735
  C         3.8798589273        5.1459025334        4.8121939904
  H        -2.7315824184       -6.0284945505        5.0237720660
  C         2.6697981137        4.4831762439        4.4163860295
  H         0.6030627260        4.7340283088        3.7565777842
  C         1.6006501431        5.2076757959        3.9422483729
  H        -6.6951054257       -5.8381349450        3.7339776194
  C        -5.9237992757       -6.4971714191        4.0410672733
  H        -6.6881240594        0.6934451888        4.7808336370
  B         2.6239482814        2.9340125686        4.4864875717
  H         6.1694610005        1.8549713505        4.7853562572
  O         3.7359745851        2.1689787956        4.9016899523
  H        -8.8549688795       -3.1429153169        4.4714551851
  B         3.7176342583        0.7979600188        4.6930768593
  H         4.1261912887       -1.9115615648        4.0634993316
  C         2.8695945694       -1.5931684106        8.0297070595
  O         0.3084324492       -0.0758241837        7.8975080789
  C         2.8251436221       -0.1402437614        7.9245215443
  B        -0.9128479983        0.5411775478        7.5802163494
  C         4.0448215969        0.4862566721        7.8125864649
  O        -0.9776442182        1.9456855645        7.3004473889
  C         5.2618477181       -0.1622870130        7.9284713374
  C        -2.2043435684       -0.2717912061        7.6804121826
  C         5.2497801730       -1.5274731404        7.9659342662
  C        -2.2928326361       -1.7105204263        7.7876286799
  C         4.0344650075       -2.2500391643        8.0536274189
  C        -3.4932316283       -2.3833919690        7.9111065686
  B        -8.5096525160       -2.4134219841        7.8822651323
  C        -4.7013913262       -1.6997941405        7.8402088969
  O        -7.2592427086       -1.7328380460        7.9191658987
  C        -4.6274340715       -0.2424633470        7.8431152849
  B        -6.0894461288       -2.4532020023        7.8746550585
  C        -3.3840140644        0.4128934189        7.7810564339
  O        -6.1273520800       -3.8521298224        7.7984986050
  H        -3.2871383358        1.4649534414        7.6654238239
  B        -7.2937870545       -4.4996082655        7.6805951054
  H        -5.5241057617        0.3991777743        7.9827249409
  O        -8.5490939650       -3.8187747798        7.7489322579
  H        -1.3335546145       -2.2632501628        7.8728908495
  C        -7.3599624898       -6.1089417739        7.6597184380
  H        -3.4614409510       -3.4650244638        7.9495336679
  C         1.3786001392        6.2404863250        7.7069020777
  H         2.2113275882        4.2469481482        7.6323013945
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  H        -5.1723125698       -6.3392398103        7.6841579648
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  H        -2.0687763937        4.3476923039        7.7144629559
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  H        -9.5160333719       -6.1794370617        7.6660131263
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  H         4.1857481408        1.5684570341        7.8032659902
  O         1.3871250856        2.0041026586        7.8504432522
  H         4.0351365614       -3.3103517445        8.1989134775
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  H         1.9353876960       -2.1405448733        8.2536553244
  C         4.1506840880       -0.4083797348       -8.9861896173
  O         1.5072804693        1.0295777673       -8.6530155063
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  B         0.3200356910        1.5608032030       -9.0059152614
  C         5.2831988411        1.7086863942       -8.6867771460
  O         0.2952584005        2.9630053947       -9.2911813170
  C         6.5082001006        1.0178151602       -8.8871568683
  C        -0.9561883124        0.6414358858       -9.1577286455
  C         6.5339009678       -0.3704782768       -9.0982619055
  C        -0.9510865723       -0.7658387419       -9.0444197535
  C         5.3335237669       -1.0988799644       -9.1547780282
  C        -2.1941306748       -1.3921019000       -9.0610863596
  B        -7.2351686290       -1.2587096473       -9.0834159713
  C        -3.4417200516       -0.6516799151       -9.1911463396
  O        -5.9950247748       -0.6302943733       -9.0089888530
  C        -3.4210343022        0.7702300081       -9.1694388891
  B        -4.8050432440       -1.3676086536       -9.1832050919
  C        -2.1796373700        1.3602087434       -9.1844157420
  O        -4.9390453745       -2.7633260190       -9.2577389995
  H        -2.0657176331        2.4662321893       -9.1699357346
  B        -6.1865911089       -3.4439998701       -9.1933660150
  H        -4.3825886160        1.4172941609       -9.1330611755
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  H        -2.3293763558       -2.5151785752       -9.1369396413
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  H         3.5410683301        5.4935362087       -8.8943761904
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  H        -4.0419139472       -5.0634497992       -9.0071172495
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  H        -0.7394202636        5.4326694392       -9.2066981390
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  H        -8.3355698453       -5.1197929556       -9.2486769401
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  H         7.4744317539        1.5189934400       -8.8498558897
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  O         2.7226061708        3.1252656615       -9.0087627599
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  H         3.1751985597       -0.9121999813       -9.0255916928
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  O        -1.2956833988       -2.1323817212       -5.7025708781
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  X        -1.0493486508       -0.0494988114       -9.3808319528
  X        -0.7394122440        4.7879931045       -2.2669177353
  X         3.4710531404       -2.7249159542       -2.5800122668
  X         6.2554509348        5.0672108583       -4.1179037342
  X        -1.1477701711       -6.1817876210       -0.6768890205
  X         5.9237967045        4.6471759263        7.1122707577
  X         6.1805499481        3.5031339218        1.8981150714
  X         8.8285442755        3.1745460762        5.5698840480
  X        -6.5416817571        1.5826050362       -3.4005421893
  X         2.3190982004       -5.5919822068        6.5973564944
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0634747508        3.0911275298        5.3706936464
  C        -4.8241043111        3.6203691556        5.9846809639
  H        10.0928105753        4.6318185186        6.3886446627
  H        -4.6237658361        2.9414429619        6.8852273077
  C         8.6923515562        3.8047397419        4.1307737509
  H         7.8208380574        3.2878816712        3.8130048567
  H         8.4894919051        4.8457661684        4.3429891514
  C        -3.6653266763        3.5947376781        4.9411015981
  H        -3.3965326208        2.5144958013        4.8736969038
  H        -2.8057453559        4.1664182970        5.2824673463
  C        -5.3031842346        3.6010061207        3.1441680660
  H        -5.1259121425        2.5618619600        2.9550605250
  H         9.6700875007        4.1317797288        2.2208430269
  O        -4.0683818884        4.1494140023        3.7493462996
  O         6.0157697906        3.2689806810        2.0509896746
  C         4.6100642276        3.6277967874        1.8295858155
  H         3.9164858608        2.7705634125        2.1289596245
  H         4.5109877110        4.4835938116        2.4774490563
  C         6.2591770744        2.0605647266        1.2495455717
  H         7.2334275624        1.7088722763        1.5102229781
  H         5.5831398177        1.2400740347        1.6298644917
  C         4.4780186036        3.9826228057        0.3750818089
  H         5.0546391572        4.9212561356        0.1474701616
  H         3.4570532859        4.2224976871        0.1269088833
  C         6.0468887436        2.2912969000       -0.2437025096
  H         6.8410962838        2.8918427389       -0.7372997514
  H         6.0725229506        1.2835974939       -0.7079229470
  O         4.7827155937        2.9018305107       -0.4918744628
  O         5.7215341978        4.4151010192        7.1592585840
  C         6.5213050127        3.2531127741        7.5695014765
  H         5.6880237428        2.6003998391        7.8807069483
  H         7.0052162355        2.8490873256        6.6630184832
  C         4.9341675441        4.9305309387        8.2044847132
  H         4.3067292537        5.7800160915        7.7695274973
  H         4.2775894199        4.1216231314        8.6592011948
  C         7.4086298359        3.6131466246        8.7697547943
  H         8.2998585338        4.3347276698        8.6783946850
  H         7.8165456853        2.6909999932        9.2481338683
  C         5.8999087822        5.4082024550        9.3181235376
  H         6.6189986714        6.0677091969        8.8841545894
  H         5.3977719932        5.8696665783      -10.0160610760
  O         6.5869199717        4.2459043291        9.8390885022
  O         4.4844046699        6.0066528998       -6.3635592575
  C         5.7827403717        5.3695655797       -6.4941353654
  H         5.5637562344        4.2972925307       -6.4488791267
  H         6.0521516086        5.7209725107       -7.4923829387
  C         3.9799652768        5.6080202895       -5.1299603967
  H         3.0584707689        6.2691511227       -5.0490979972
  H         3.7276239275        4.5765483605       -4.9957770155
  C         6.8307576767        5.7337847735       -5.3918349393
  H        -0.5837694583       -6.2380921707       -5.3858667154
  H         7.8324573383        5.2272694833       -5.4333145299
  C         4.8958211427        5.9039342444       -3.9111845636
  H        -2.5039945713       -6.0522685438       -3.7654807365
  H         4.4869042261        5.4099383228       -2.9598107849
  O         6.2765450846        5.3791836478       -4.0864902537
  O        -5.5847110959        3.3948485697       -5.2350936918
  C        -5.1092331269        3.3640388069       -3.8333034623
  H        -4.2045868036        2.6536045789       -3.7563298806
  H        -4.7580492733        4.3970325125       -3.6412966849
  C         8.8022245856        2.2413715430       -5.6083789142
  H         8.3607619291        2.5303243960       -6.5569240669
  H        -5.7434020334        1.3407688135       -5.8981568991
  C         8.8715080708        2.9808887309       -2.9520490336
  H         8.1805647545        3.8364307698       -3.0227975792
  H        -5.7671920840        2.8544157032       -1.9193815924
  C         7.6763636490        1.8679082658       -4.6369217067
  H         7.0329667823        2.8012483555       -4.5574021137
  H         7.0046207730        1.0095159915       -4.9506395159
  O         8.2963949991        1.7453409650       -3.3655279798
  O         0.2760520660       -5.3991835417        4.8250691551
  C         1.6472043270       -5.4876283885        4.3691888635
  H         2.1832230857       -6.4448811944        4.0880457700
  H         1.6548103839       -4.9902069980        3.3509052027
  C         0.0610567525       -5.8725369565        6.1538266438
  H        -0.9521932931       -5.6747676604        6.3300664459
  H         7.8371621427        6.1075795859        6.2867350853
  C         2.5047747985       -4.6619604324        5.3446564587
  H         2.1028697829       -3.5676559814        5.4024612013
  H         3.6071917968       -4.9519739651        5.2013900942
  C         0.9668244117       -5.0699799685        7.1219796295
  H         0.8996132941       -3.9463372429        7.1540454940
  H         0.8412285670       -5.5480217472        8.1493523228
  O         2.3130774614       -5.3000266232        6.6613190235
  O         1.5362038252       -6.2099415014        0.0750628222
  C         0.4787784886       -6.4354196686        1.0395751184
  H         7.7212151008        5.6329443580        1.0367474810
  H         0.7945276350       -6.2130495714        2.0283254184
  C         1.0797110454       -6.4457124669       -1.2548898282
  H         1.9707849866       -6.2116366015       -1.8746510274
  H         8.0842232778        5.7083024204       -1.4655201765
  C        -0.7313828315       -5.6010601438        0.7177100062
  H        -0.5095656185       -4.5388377552        0.9707664022
  H        -1.5715070619       -5.9377032694        1.4591948872
  C        -0.0371234761       -5.4940026205       -1.5926508733
  H         0.1953131317       -4.4778705506       -1.3143880382
  H        -0.4363002268       -5.5853572514       -2.6611550448
  O        -1.1272965483       -5.8739396736       -0.6817764387
  C         1.1709374080       -2.2769950876        1.1771926549
  O        -1.4507750085       -0.8486284779        1.1216037588
  C         1.1998992958       -0.8799093686        1.1683099881
  B        -2.6765626822       -0.1319383816        1.0729724504
  C         2.4241340111       -0.2566428821        1.2636506976
  O        -2.6695363359        1.2549478896        0.9240836375
  C         3.6772697952       -0.9457788593        1.2892341296
  C        -3.9932029927       -0.9488388052        1.2014118447
  C         3.6122917120       -2.3430217499        1.2233066374
  C        -4.0187182551       -2.3183333026        1.0428482443
  C         2.3310948736       -3.0120799218        1.1792560485
  C        -5.2698396072       -3.0073015678        1.0258163731
  B         4.9378735507       -3.1488117782        1.2863462348
  C        -6.5073910659       -2.2933340420        1.0685371199
  O         6.0937809988       -2.3763939437        1.1320368615
  C        -6.3987822060       -0.9060368882        1.1683931077
  B        -7.7997227741       -3.0735635697        1.1654253211
  C        -5.1810120773       -0.2350550524        1.1516112052
  O        -7.7741025735       -4.4349093199        1.1522884922
  H        -5.2042078760        0.8402569391        1.2911480220
  B        -8.9336469814       -5.2237242152        1.2389564462
  H        -7.3403051779       -0.3443463261        1.2996565969
  O       -10.1396567360       -4.5108663221        1.3996445541
  H        -3.0487774249       -2.8098798080        1.1208203981
  C        -1.3526209469        6.3192132523        1.1540338312
  H        -5.2261865511       -4.0443294851        0.7834018706
  C        -0.1384848496        5.5151661452        1.1114102284
  H         0.7375159352        3.5221000344        1.0454275065
  C        -0.1697455428        4.1268429442        1.0019613464
  H         0.8557897763        5.9969465425        1.0965177618
  C        -1.3857297457        3.4882666843        0.8121670711
  H        -3.6585055330        3.8275637348        0.6541171278
  C        -2.5940061695        4.2641661162        0.7645638499
  H        -3.5088087898        6.2097952757        0.8742446989
  C        -2.5781407766        5.6352367592        0.9234294363
  H         4.5461496460       -0.3159246200        1.2957449220
  B        -1.4770848394        1.9376228541        0.9041908389
  H         2.4961145215        0.8241872703        1.2560188221
  O        -0.2638172042        1.2414301025        0.9493202497
  H         2.3204225976       -4.0869332277        1.2417086131
  B        -0.2206557495       -0.1434963868        1.1018668670
  H         0.1392100453       -2.8104336971        1.2396287572
  C         5.0367579506       -1.3798834407        4.2991976470
  O         2.5170896541        0.1413687519        4.4044889206
  C         5.0239972429        0.0454326893        4.5547915882
  B         1.4404502593        0.9253773533        4.1593205418
  C         6.2531023545        0.7548984996        4.7118412290
  O         1.4640157911        2.2984975394        3.9703172755
  C         7.4829318437        0.1113692880        4.6985870687
  C        -0.0062326521        0.2591179622        4.1400790705
  C        -7.6140170877       -1.3630928360        4.5428598223
  C        -0.0484697171       -1.1272458749        4.4850958086
  C         6.2765512770       -2.0570226394        4.4562762658
  C        -1.2377576377       -1.8613229117        4.5818310297
  B        -6.2322549196       -2.1936436253        4.4212249323
  C        -2.4547489528       -1.1923995818        4.3675550217
  O        -5.0418518429       -1.4657326183        4.2042487061
  C        -2.4691518574        0.2120568820        4.1927854815
  B        -3.7648321217       -2.0559887798        4.3403621753
  C        -1.2558961203        0.8709659580        3.9895439755
  O        -3.6973477803       -3.4604440254        4.4410609008
  H        -1.2997407335        1.9317481738        3.7692662999
  B        -4.8721532101       -4.1839573934        4.5845552123
  H        -3.3936462087        0.7204888841        3.9845732660
  O        -6.1092271131       -3.5569057977        4.6770031045
  H         0.9272573764       -1.5676606472        4.8134575968
  C        -4.7979982084       -5.8063104295        4.5089800731
  H        -1.2484071067       -2.9606297557        4.7639685537
  C         3.9440954411        6.5251813605        4.7229529267
  H         4.6815842382        4.4554025657        5.0609602350
  C         3.8561944183        5.1456540152        4.8328243503
  H        -2.6906382050       -6.0169241277        5.0408931910
  C         2.6852382033        4.4801044169        4.4031492954
  H         0.6405142808        4.7115262070        3.7332917139
  C         1.5970162543        5.2062554092        3.9449066549
  H        -6.6921289266       -5.8470008988        3.6844711380
  C        -5.8986215691       -6.4962721047        4.0458535740
  H        -6.6749068371        0.6951427763        4.8062547305
  B         2.6256641098        2.9400376675        4.4939749511
  H         6.1674858893        1.8565480701        4.7662366792
  O         3.7089851912        2.1744019624        4.9114270862
  H        -8.8976476243       -3.1487720285        4.4250216146
  B         3.7010780003        0.8063097279        4.7015805992
  H         4.0983550848       -1.9279745110        4.0822455566
  C         2.8661845402       -1.5908900114        8.0439677339
  O         0.3042431033       -0.0830774289        7.9001925082
  C         2.8361538986       -0.1500867483        7.9244065412
  B        -0.8988949804        0.5496074371        7.5783664529
  C         4.0387928042        0.5053059419        7.7939390579
  O        -0.9736402011        1.9328545115        7.3174523187
  C         5.2645729914       -0.1524330978        7.9327989052
  C        -2.2110635856       -0.2747830518        7.6936568858
  C         5.2602172451       -1.5310562402        7.9794294231
  C        -2.2899311687       -1.6994960354        7.7728234257
  C         4.0527897220       -2.2520230714        8.0626020818
  C        -3.4786710295       -2.4006327564        7.8980535819
  B        -8.5094977188       -2.4348432781        7.8737831375
  C        -4.7095455524       -1.6851658950        7.8492207192
  O        -7.2534334748       -1.7313581319        7.9429105433
  C        -4.6319168624       -0.2319548507        7.8483971439
  B        -6.1232187260       -2.4470053815        7.8794055600
  C        -3.3801413117        0.4071636640        7.7723906878
  O        -6.1426730633       -3.8412685844        7.7930099396
  H        -3.3213236937        1.4942897958        7.6823319081
  B        -7.2852253750       -4.5057199166        7.6948432916
  H        -5.5409595732        0.4014908069        7.9691099383
  O        -8.5483158669       -3.8312569146        7.7523039051
  H        -1.3679314191       -2.2557484282        7.8788548047
  C        -7.3490514135       -6.0932456539        7.6387852252
  H        -3.4050507716       -3.4719359151        7.9021709086
  C         1.3779576071        6.2410154173        7.6956830096
  H         2.2233710163        4.3457838664        7.6795603127
  C         1.3312858986        4.9183465774        7.5479616735
  H        -5.1641222685       -6.3633299262        7.6801029234
  C         0.1233134818        4.2384744214        7.5985988941
  H        -2.0314394283        4.3368507815        7.7185847398
  C        -1.1246598533        4.9010834503        7.7114550902
  H        -9.5832431450       -6.2066856341        7.6490181357
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  H         6.1928104391        0.3896222751        7.7453783425
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  H         4.1839489432        1.5789867471        7.7882552732
  O         1.3718229940        2.0115040158        7.8438705691
  H         4.0699678348       -3.3594740239        8.1794945390
  B         1.4902742893        0.6701840959        7.9017366365
  H         1.9978550407       -2.1514969387        8.1940161650
  C         4.1432599427       -0.4236343710       -8.9782900552
  O         1.5131249821        1.0345898162       -8.6482025586
  C         4.1023650795        0.9967518845       -8.8135165448
  B         0.3217918376        1.5637628901       -9.0015111059
  C         5.2802081890        1.7071970436       -8.6933840734
  O         0.3121204550        2.9592735900       -9.2923115980
  C         6.5131885774        1.0147431150       -8.8817447016
  C        -0.9700931073        0.6410673970       -9.1554024694
  C         6.5485238340       -0.3783295777       -9.0896254986
  C        -0.9707704089       -0.7446911111       -9.0693074649
  C         5.3567150407       -1.1095745812       -9.1601679941
  C        -2.2055609982       -1.3973617963       -9.0748779967
  B        -7.2387657019       -1.2563009586       -9.0478232833
  C        -3.4174918757       -0.6553774272       -9.1894534087
  O        -5.9800289423       -0.6092065322       -9.0036979705
  C        -3.4250581572        0.7885534565       -9.1601381787
  B        -4.8057470649       -1.3896544970       -9.1817981722
  C        -2.1741971929        1.3679082479       -9.1647685578
  O        -4.9375340819       -2.7709909926       -9.2601887072
  H        -2.0698044617        2.5032880643       -9.1341380238
  B        -6.1825432436       -3.4587294129       -9.2053398464
  H        -4.3332055240        1.4089475378       -9.1136169647
  O        -7.3514202457       -2.6538314921       -9.2211899040
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  H        -2.2781773270       -2.4322453722       -9.1231606485
  C        -4.9536347752       -5.5980815728       -9.1085957340
  H         3.5196943776        5.4590368576       -8.8734115837
  C         2.6553300788        6.0922516973       -9.0472825941
  H        -4.0394220463       -4.9973177410       -8.9964107366
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  H        -0.7430750932        5.4032877937       -9.1729871846
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  H        -8.2963392581       -5.1383182541       -9.2537606164
  C        -7.3928461283       -5.6814082321       -9.2445710824
  H         7.4991418347        1.5281914548       -8.8923586385
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  H         5.2843200027        2.7708346174       -8.5903116903
  O         2.7247849294        3.1184440804       -9.0013479026
  H         5.4200025234       -2.1916219706       -9.3100559356
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  H         3.1847899069       -0.9145233147       -8.9660575582
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  O        -1.2863469117       -2.1243466531       -5.7083534046
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  O        -2.4081087345       -0.0752736734       -5.7283213500
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  C        -3.8753035027       -2.1565959933       -5.7601060271
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  C        -3.9131514507       -3.5543369099       -6.0723226245
  C         2.4854328952       -4.3110579485       -5.7853982145
  C        -5.1873199017       -4.2895408262       -6.1637180337
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  O        -7.5527541550       -5.7230994572       -6.0093477122
  H        -5.1605546873       -0.4670579234       -5.4058339931
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  X         1.2416265750        5.5922498430        7.3392268196
  X        -2.9595829188       -2.6962780225       -1.9158869547
  X         3.1188497363       -3.9058062843       -5.6024484023
  X        -2.9538502675       -1.9324976993        8.1217624407
  X        -0.7549027445        4.7957242045       -2.2587995728
  X         3.0984528327       -1.9276549576       -5.6348808032
  X         4.5308714085        6.3085331411       -6.3325262772
  X         4.7987757339        3.0201205876       -0.7677828534
  X         8.0784371601        1.6926065508       -3.1677823816
  X         6.7913903063        4.3526381343       10.0353965364
  X         2.4931698956       -5.1463114722        6.8508888294
  X        -0.5787533010       -4.8801566666        0.8649774189
  X        -3.8464328407        4.0797894291        3.5653083075
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0762129994        3.0803176989        5.3710605899
  C        -4.8226859721        3.6239187747        5.9890124939
  H        10.1168129115        4.6914654785        6.4193956554
  H        -4.6283248461        2.8999522242        6.9147502652
  C         8.6794319229        3.7924023771        4.1454755575
  H         7.7446334717        3.2270717427        3.7602056403
  H         8.4985811318        4.8689458382        4.3734136995
  C        -3.6622463617        3.6016206202        4.9411249631
  H        -3.3977552764        2.5902198297        4.8750000785
  H        -2.8222701979        4.1097745212        5.3481833312
  C        -5.3030117611        3.6063280108        3.1684941566
  H        -5.1189414103        2.5413468744        2.9847351948
  H         9.7089173491        4.0767809243        2.1867569844
  O        -4.0584312779        4.1490334143        3.7479816252
  O         6.0076330669        3.2506327268        2.0584833728
  C         4.6020504870        3.6266892197        1.8550935538
  H         3.8925231750        2.8598597260        2.0993553572
  H         4.5191942876        4.4370366041        2.5489157994
  C         6.2449620664        2.0651678480        1.2419176743
  H         7.2684771894        1.7213389020        1.4786568052
  H         5.6111812582        1.2355799965        1.6633810459
  C         4.4654114529        3.9964328758        0.3762893539
  H         4.9806432847        4.9692982955        0.1514106751
  H         3.4596866200        4.2630109035        0.1068608022
  C         6.0599788502        2.2914231798       -0.2427760159
  H         6.8004818439        2.8748369129       -0.7948126669
  H         6.0481014141        1.2999376746       -0.7989371382
  O         4.7884645682        2.8879151318       -0.4886937137
  O         5.7161208027        4.4120946438        7.1527660716
  C         6.5316108503        3.2434402970        7.5791027191
  H         5.7554196660        2.5703567688        7.8649323448
  H         7.0138389660        2.8670195154        6.6663559807
  C         4.9431368759        4.9368690371        8.2120114390
  H         4.2974703676        5.7460296494        7.8014830626
  H         4.2793660609        4.1515930864        8.6401473721
  C         7.4248932061        3.6297208072        8.7605178439
  H         8.2749009495        4.3457454935        8.7308622010
  H         7.8339073614        2.6784460088        9.2117545178
  C         5.8953181587        5.4103039037        9.3154149873
  H         6.6200867890        6.0507845467        8.9301117441
  H         5.3704268787        5.8458367396      -10.0111871393
  O         6.5961919981        4.2408672918        9.8371693010
  O         4.4955943709        6.0033636845       -6.3559827191
  C         5.7812515140        5.3545568827       -6.4737446140
  H         5.5925553403        4.2762715602       -6.4015851990
  H         6.1446763062        5.7069656433       -7.4887088078
  C         3.9827797294        5.6122419792       -5.1142296916
  H         3.0800847816        6.1725185951       -5.1014667152
  H         3.7010215208        4.5422404825       -4.9640367421
  C         6.8288686896        5.7334609920       -5.3837516146
  H        -0.5429040195       -6.2277632236       -5.3521205535
  H         7.8041492538        5.2884342180       -5.4905886343
  C         4.9222903890        5.9083882580       -3.8998615381
  H        -2.5650951041       -6.0977110771       -3.7591890749
  H         4.5329598924        5.4241400894       -2.9917915365
  O         6.2713999010        5.3791283839       -4.0713051635
  O        -5.5856490047        3.3901289854       -5.2181515519
  C        -5.1084678609        3.3717907500       -3.8145378750
  H        -4.2581535010        2.7056897507       -3.7768849036
  H        -4.8036374673        4.3837900547       -3.6613073477
  C         8.7867724292        2.2184782633       -5.6120453153
  H         8.3118146063        2.5624462277       -6.6214750763
  H        -5.7412850634        1.3634279056       -5.9227920810
  C         8.8888085663        2.9813086275       -2.9487278962
  H         8.1670422400        3.8235984142       -3.0480502617
  H        -5.7762529380        2.8870456626       -1.9282263019
  C         7.6604045581        1.8725384925       -4.6533773539
  H         6.9637556830        2.7617191683       -4.5555187259
  H         7.0436811029        0.9883007470       -4.9287360917
  O         8.2780391114        1.7298282938       -3.3668488103
  O         0.2692669304       -5.3999769526        4.8379747297
  C         1.6588227237       -5.4834059992        4.3874411414
  H         2.1746131557       -6.4570294681        4.1252602154
  H         1.6386718741       -4.9609344348        3.3499353640
  C         0.0661150081       -5.8607293517        6.1564890081
  H        -1.0031344862       -5.6816870110        6.3445319890
  H         7.8102772453        6.1260815451        6.2730549024
  C         2.4972754383       -4.6563312760        5.3114490942
  H         2.0753995832       -3.5663485689        5.4117756876
  H         3.5955667494       -4.9169305358        5.1325732938
  C         0.9797863678       -5.0847377547        7.1345123936
  H         0.8977839808       -4.0024991635        7.1217762046
  H         0.8403775762       -5.4982843572        8.1183950535
  O         2.3199954188       -5.3068578480        6.6672049709
  O         1.5341637962       -6.2163708289        0.0807773282
  C         0.4989072817       -6.4377570831        1.0287956929
  H         7.7290195968        5.5936820872        1.0711588682
  H         0.8448677749       -6.1698390817        1.9801132458
  C         1.0676239490       -6.4430199273       -1.2615902709
  H         1.9571445317       -6.1789126430       -1.9036036902
  H         8.1149496693        5.6629664288       -1.4289420344
  C        -0.7147485406       -5.6147575185        0.7131051156
  H        -0.5750518470       -4.5305745254        0.9359648163
  H        -1.5474728008       -5.9713240369        1.3973216081
  C        -0.0371791327       -5.4671139443       -1.5817388751
  H         0.2349942155       -4.4341344134       -1.3216123612
  H        -0.4106345577       -5.6041067824       -2.6055826381
  O        -1.1245801275       -5.8725700590       -0.6827275367
  C         1.1659187097       -2.2803701336        1.1557143682
  O        -1.4581091036       -0.8273511323        1.0888471154
  C         1.1953044929       -0.8941179484        1.1708859892
  B        -2.6730507231       -0.1185000766        1.0689987118
  C         2.4214923890       -0.2590541472        1.2627350931
  O        -2.6634195265        1.2600872102        0.9230389369
  C         3.6693853110       -0.9531590401        1.2743715570
  C        -3.9995614714       -0.9346660050        1.1968387441
  C         3.6134416842       -2.3420141672        1.2187112521
  C        -4.0257448658       -2.3300191631        1.0411394038
  C         2.3308010629       -3.0156786840        1.1991424368
  C        -5.2530001719       -2.9957653666        1.0183002672
  B         4.9281378087       -3.1445088645        1.2835361723
  C        -6.4963034086       -2.3125744286        1.0575340679
  O         6.0970614005       -2.3786219260        1.1209454189
  C        -6.3992827434       -0.9066479653        1.1716492332
  B        -7.8203719480       -3.0741226273        1.1545047914
  C        -5.1695787822       -0.2289816439        1.1705531083
  O        -7.7712288772       -4.4134707375        1.1629831253
  H        -5.1901932762        0.8755386479        1.2898691391
  B        -8.9291424658       -5.2111619174        1.2383410047
  H        -7.2775312760       -0.2896471060        1.2976488922
  O       -10.1145403874       -4.5137615880        1.4236187072
  H        -3.0778792345       -2.8585225873        1.1234523489
  C        -1.3591293490        6.3330945974        1.1471636175
  H        -5.2055028643       -4.0704689816        0.7677166412
  C        -0.1304553703        5.5124538403        1.1145801302
  H         0.6668467171        3.4877183241        1.0062244358
  C        -0.1614893299        4.1362508241        0.9918078246
  H         0.8549949036        6.0289709589        1.0904523312
  C        -1.3799418750        3.4741255536        0.8034531488
  H        -3.6358305834        3.7596278236        0.6641688780
  C        -2.6231501901        4.2651228874        0.7610030684
  H        -3.5110818169        6.2049061582        0.8834512756
  C        -2.5789448653        5.6342090775        0.9453382575
  H         4.5451886872       -0.3280193684        1.2761229308
  B        -1.4792573973        1.9443086172        0.9047542494
  H         2.5134051475        0.8039312456        1.3182783796
  O        -0.2707093982        1.2303762168        0.9497266209
  H         2.3636567904       -4.0914157044        1.2599201869
  B        -0.2351740948       -0.1339317464        1.0901453248
  H         0.2152273152       -2.7745479511        1.2291574794
  C         5.0515125939       -1.3881303245        4.2925411833
  O         2.5190387289        0.1311318123        4.3949719640
  C         5.0292877708        0.0479460681        4.5575036816
  B         1.4367952054        0.9415096014        4.1554901396
  C         6.2433075443        0.7695115706        4.7173884697
  O         1.4595067959        2.2852459499        3.9773892567
  C         7.4984664275        0.1062644721        4.6696059479
  C        -0.0009333990        0.2591528766        4.1399334704
  C        -7.6127667614       -1.3597620532        4.5603219411
  C        -0.0871072111       -1.1389997057        4.4749748499
  C         6.2706419821       -2.0462440726        4.4554608138
  C        -1.2397699196       -1.8369077347        4.5730956988
  B        -6.2336291318       -2.1798838351        4.4035616837
  C        -2.4475879476       -1.1948183759        4.3572360112
  O        -5.0559284015       -1.4888348932        4.2191169394
  C        -2.4366248284        0.2187780303        4.1884742113
  B        -3.7766834365       -2.0404430819        4.3033244820
  C        -1.2631292209        0.8662266418        3.9940329308
  O        -3.6964869729       -3.4405961554        4.4550379136
  H        -1.2106470302        1.9401542670        3.8006847899
  B        -4.8652716122       -4.1825524239        4.5590071801
  H        -3.4042370542        0.7024153227        4.0461348471
  O        -6.1104302115       -3.5807200297        4.6802900339
  H         0.9364885361       -1.5090320201        4.7688166622
  C        -4.7982790676       -5.8013293919        4.5129044821
  H        -1.2514963563       -2.9110053060        4.7596518689
  C         3.9554441211        6.5319246651        4.7151159509
  H         4.5788802863        4.4428020882        5.0610853578
  C         3.8339582932        5.1427159620        4.8473457625
  H        -2.6682330362       -6.0179604385        5.0415891161
  C         2.7003841281        4.4731566152        4.3939583483
  H         0.6960191870        4.6875524726        3.6926093973
  C         1.5904468390        5.2034375723        3.9497990423
  H        -6.7325353902       -5.8739278853        3.6440482590
  C        -5.8763581391       -6.4921942887        4.0472007334
  H        -6.6913878448        0.6638197129        4.8258212205
  B         2.6243424515        2.9459445281        4.4966832749
  H         6.1803418768        1.8344636670        4.7561414341
  O         3.6813392222        2.1815436072        4.9225622352
  H        -8.9141561863       -3.1541953228        4.3774402128
  B         3.6855333345        0.8132117081        4.7060784090
  H         4.0991040237       -1.9252910430        4.1223067761
  C         2.8645140225       -1.5786005050        8.0594740852
  O         0.2996022522       -0.0877679305        7.9018653335
  C         2.8400835102       -0.1613964554        7.9241173032
  B        -0.8843392362        0.5573779845        7.5816969953
  C         4.0407441280        0.5275911498        7.7806602930
  O        -0.9689505183        1.9177611152        7.3341999612
  C         5.2641993915       -0.1434815521        7.9312391212
  C        -2.2126100119       -0.2861393715        7.7068303518
  C         5.2781931422       -1.5450874388        7.9918035732
  C        -2.2842358865       -1.6847809835        7.7609846288
  C         4.0747073526       -2.2579329933        8.0723393070
  C        -3.4634243919       -2.4109722777        7.8806212123
  B        -8.5098648201       -2.4536455426        7.8680736398
  C        -4.7209039670       -1.6659294706        7.8589083993
  O        -7.2562119835       -1.7293025963        7.9666609175
  C        -4.6367169637       -0.2270009862        7.8541549772
  B        -6.1431032599       -2.4386526597        7.8822551473
  C        -3.3863425129        0.4067432967        7.7615789523
  O        -6.1517868301       -3.8259160451        7.7866328409
  H        -3.3711305518        1.5266014497        7.7101744027
  B        -7.2910914616       -4.5226150084        7.7086305127
  H        -5.5383401424        0.3672294372        7.9455278204
  O        -8.5444345002       -3.8389925452        7.7547619627
  H        -1.3808162577       -2.2588646361        7.8682285526
  C        -7.3459783399       -6.0704710660        7.6221996377
  H        -3.3730822638       -3.5115332107        7.8673000380
  C         1.3819530915        6.2535938103        7.6791758585
  H         2.2687442928        4.4128582737        7.7015297786
  C         1.3288710312        4.8974871406        7.5544922963
  H        -5.1982035870       -6.3779005463        7.6884639897
  C         0.1136564376        4.2331640516        7.5837398630
  H        -2.0299245418        4.3117275224        7.7369942993
  C        -1.1305703214        4.9144132945        7.7027891322
  H        -9.6326057218       -6.2164153007        7.6487502202
  C        -1.0725451356        6.3215350082        7.7280847112
  H         6.2173721482        0.4776424747        7.7445140310
  B         0.1707632655        2.6685920127        7.5397944552
  H         4.1367798166        1.6113665153        7.7549228590
  O         1.3580525405        2.0242394757        7.8367176743
  H         4.1025294670       -3.3733760151        8.1480281895
  B         1.4908052244        0.6621965758        7.8951750930
  H         1.9761561311       -2.1893690888        8.1379903948
  C         4.1386413389       -0.4371724603       -8.9722935103
  O         1.5243259562        1.0390959903       -8.6432295244
  C         4.1001240782        0.9966147843       -8.8025680332
  B         0.3212463129        1.5704620609       -9.0012047090
  C         5.2866136967        1.7038313351       -8.7042795743
  O         0.3277361737        2.9543419731       -9.2926880366
  C         6.5184476089        1.0122100480       -8.8741971805
  C        -0.9813237083        0.6516885771       -9.1496839638
  C         6.5662822718       -0.3878190551       -9.0789661023
  C        -0.9948096399       -0.7217940451       -9.0961911428
  C         5.3743946703       -1.1173391459       -9.1624229494
  C        -2.2177578741       -1.3920247472       -9.0917199926
  B        -7.2385337696       -1.2513206605       -9.0178523038
  C        -3.3972368264       -0.6562223078       -9.1846392988
  O        -5.9660194654       -0.5915799724       -8.9983805445
  C        -3.4230531093        0.7988083385       -9.1511339114
  B        -4.8101114855       -1.4105317655       -9.1778625036
  C        -2.1670240892        1.3853543891       -9.1452170771
  O        -4.9372437718       -2.7780502324       -9.2613913915
  H        -2.0887356069        2.4742827150       -9.0982496881
  B        -6.1778825222       -3.4549868582       -9.2188935180
  H        -4.2807038711        1.3775813281       -9.1035976112
  O        -7.3683482896       -2.6753703325       -9.2154861723
  H         0.0057476798       -1.1824761330       -9.0839890577
  C        -6.2048228078       -4.9504188419       -9.2759516207
  H        -2.2280180114       -2.4478610386       -9.1048202625
  C        -4.9597576724       -5.6046931191       -9.0859834980
  H         3.5363695668        5.4624266527       -8.8550912460
  C         2.6551351324        6.0856388317       -9.0425239013
  H        -4.0454785242       -4.9427447624       -8.9963783267
  C         1.4615972693        5.2674053392       -9.0564525184
  H        -0.7283322643        5.3657650328       -9.1519334921
  C         0.2257492673        5.9476125990       -9.2060218236
  H        -8.3246159255       -5.1428924009       -9.2716384850
  C        -7.3762644421       -5.6664887944       -9.2335901647
  H         7.4865467087        1.5307260005       -8.9172292923
  B         1.4624739554        3.7209973498       -9.1103779385
  H         5.1848237978        2.7984887322       -8.6175090117
  O         2.7255568815        3.1093143875       -8.9946641959
  H         5.3995080769       -2.1842110913       -9.3654984080
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  H         3.1759816241       -0.9446605635       -8.9167780313
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  O        -1.2795471034       -2.1182597309       -5.7133561499
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  O        -2.3908040833       -0.0769408277       -5.7435395999
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  C        -3.8614983437       -2.1653685125       -5.7798912772
  C         3.7126759382       -3.6551064163       -5.9752490759
  C        -3.9337834125       -3.5467844267       -6.0598689522
  C         2.4819908631       -4.2998932708       -5.7861398186
  C        -5.2051811153       -4.2734900407       -6.1553079289
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  O        -8.9012452413       -3.7020956146       -6.3983321233
  C        -6.3085597817       -2.1572186947       -5.7215120707
  B        -7.6606144533       -4.3489915001       -6.1682450315
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  X         4.2295200267        0.2859868226       -8.6136269071
  X        -6.7278694512       -5.3579753453       -9.5312431081
  X        -2.9425697833       -2.6949584722       -1.9075469971
  X        -2.4449803189        4.9616111141        0.5737928207
  X         3.0172751515       -3.9033577714       -6.1543946023
  X        -2.9400037983       -1.9334796972        8.1080053175
  X         3.0948380256       -1.9213726350       -5.6283834325
  X        -6.5864931942        1.5404196638       -3.4097928600
  X         4.5894346408        2.6816168502       -0.3960240317
  X         6.4394886610        5.5274784678       -3.8645412004
  X         6.3711245534        4.0374602995        9.9003468226
  X         0.1060026215       -5.5802581816        4.6600235952
  X        -1.1295567218       -6.1796730773       -0.7001255339
  X        -4.1267701893        4.4394525854        3.8154792648
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0883363354        3.0719314660        5.3723522822
  C        -4.8216998686        3.6255795941        5.9978078381
  H        10.1389126709        4.6840580532        6.4134537185
  H        -4.6457833578        2.9345944896        6.8471692484
  C         8.6631533565        3.7740484390        4.1626047014
  H         7.7247746113        3.2280279474        3.7386870310
  H         8.4965592535        4.8620442941        4.3918512877
  C        -3.6684334372        3.6049195792        4.9521062928
  H        -3.3695124421        2.5680125512        4.8486544844
  H        -2.7915785046        4.0966417747        5.4170397407
  C        -5.2971020028        3.6097808266        3.1948029420
  H        -5.1230579863        2.5016488946        3.0135042329
  H         9.7349565005        4.0449706434        2.1552210537
  O        -4.0500635682        4.1526735870        3.7401778115
  O         5.9973039896        3.2288379718        2.0632491765
  C         4.6039281723        3.6280464326        1.8746015929
  H         3.8562594512        2.8954110072        2.0911174069
  H         4.4899071587        4.4410148884        2.6252076848
  C         6.2340395606        2.0695344779        1.2388466949
  H         7.3131266863        1.7487271828        1.4401764648
  H         5.6394595166        1.2578732417        1.6686908063
  C         4.4515594781        4.0134078213        0.3788392782
  H         4.9427649238        4.9740862709        0.1551902083
  H         3.4074541004        4.2940010572        0.0892569283
  C         6.0708749646        2.2862759777       -0.2437561320
  H         6.7993185075        2.8778208829       -0.8225216855
  H         6.0120826633        1.3535523164       -0.8531241930
  O         4.7918706417        2.8760369419       -0.4863392401
  O         5.7131300506        4.4077208830        7.1429508523
  C         6.5417045330        3.2468337520        7.5870208480
  H         5.8187322192        2.4788695439        7.8921799729
  H         7.0403154167        2.8989509673        6.6901533356
  C         4.9531745586        4.9442731399        8.2216570297
  H         4.3094131486        5.7027926619        7.8442607349
  H         4.2829724940        4.1880722503        8.6260622329
  C         7.4377822036        3.6440027402        8.7584723205
  H         8.2406338536        4.3424800706        8.7081273631
  H         7.8303061175        2.7006626270        9.1633514604
  C         5.8872517931        5.4014640428        9.3157545784
  H         6.6919906462        6.1197215826        8.9319257631
  H         5.3420751949        5.8333826134       -9.9872644874
  O         6.6049332520        4.2347471735        9.8326114252
  O         4.5109041825        5.9987812161       -6.3473848805
  C         5.7858211454        5.3448423419       -6.4577566469
  H         5.6391884677        4.2383048536       -6.3737740298
  H         6.2403685692        5.6515759243       -7.4415719342
  C         3.9861613509        5.6146755426       -5.0915134967
  H         3.0388481862        6.1059289108       -5.0983597055
  H         3.6884693020        4.5088674076       -4.9812214252
  C         6.8159259974        5.7405189969       -5.3712644208
  H        -0.5131925510       -6.2444928481       -5.3359642087
  H         7.7919233224        5.3077714789       -5.5546734801
  C         4.9499000451        5.9113860577       -3.8922421208
  H        -2.6247890772       -6.0983073933       -3.7438644841
  H         4.5792235498        5.4410550563       -3.0246448975
  O         6.2667657978        5.3778558480       -4.0579901556
  O        -5.5855758229        3.3854876852       -5.2004631841
  C        -5.1066736738        3.3782903388       -3.8084493458
  H        -4.2769507725        2.7390762099       -3.7844584508
  H        -4.8275391625        4.4168467479       -3.6575533073
  C         8.7612197341        2.2033413013       -5.6263248136
  H         8.2869080991        2.5708318623       -6.6173700690
  H        -5.6834144319        1.3550280147       -5.9190256984
  C         8.9020997578        2.9800404949       -2.9413810081
  H         8.1305533643        3.7820906123       -3.0377546220
  H        -5.8300594268        2.9042002403       -1.9400196481
  C         7.6443587838        1.8831540701       -4.6688404932
  H         6.9080087237        2.6884480164       -4.5739724425
  H         7.1155193235        0.9714331431       -4.8937563538
  O         8.2605982855        1.7124616609       -3.3630550863
  O         0.2655524252       -5.4050513501        4.8469782245
  C         1.6700193275       -5.4711719446        4.3940322072
  H         2.1071765788       -6.4610085444        4.2223105331
  H         1.6223522190       -4.9555910418        3.4237840170
  C         0.0711068449       -5.8468225975        6.1624876524
  H        -1.0600406893       -5.6861757417        6.3734493011
  H         7.7764815966        6.1562911969        6.2576639111
  C         2.4908093779       -4.6561064744        5.2882686178
  H         2.1203292164       -3.6407176902        5.3942503120
  H         3.5302778462       -4.8128490828        5.0584366059
  C         0.9938447057       -5.1045250291        7.1396846200
  H         0.8397695897       -4.0304381686        7.0983929615
  H         0.8562259020       -5.4553324282        8.1339032249
  O         2.3292318588       -5.3121297468        6.6724806655
  O         1.5329711981       -6.2258874878        0.0864484410
  C         0.5144339838       -6.4409402587        1.0122914530
  H         7.7432685928        5.5279664754        1.0956871974
  H         0.9378018777       -6.1128892064        2.0152756840
  C         1.0600698787       -6.4334487414       -1.2689969210
  H         1.9131982191       -6.1971565620       -1.9157377096
  H         8.1886598395        5.6038139194       -1.3805267960
  C        -0.7035390662       -5.6296850755        0.7073207707
  H        -0.6390770579       -4.5357029623        0.8706143813
  H        -1.4986865404       -5.9883670769        1.2982974184
  C        -0.0420050344       -5.4416489935       -1.5664816014
  H         0.2870822373       -4.3827735191       -1.3450945855
  H        -0.3858708337       -5.6147169126       -2.5521928209
  O        -1.1223567630       -5.8675240509       -0.6822281999
  C         1.1621586762       -2.2865826027        1.1364150068
  O        -1.4636811134       -0.8048946979        1.0557733215
  C         1.1800020096       -0.9037413981        1.1725882084
  B        -2.6646546287       -0.1096656006        1.0671357363
  C         2.4245567286       -0.2619696609        1.2594758789
  O        -2.6609667887        1.2636263419        0.9222314176
  C         3.6490592390       -0.9579803749        1.2573429650
  C        -3.9981829788       -0.9171160556        1.1873446279
  C         3.6114199951       -2.3459418079        1.2160686725
  C        -4.0337782446       -2.3398238926        1.0452503249
  C         2.3374199325       -3.0171402763        1.2193043839
  C        -5.2339765469       -2.9858695624        1.0043343497
  B         4.9196926815       -3.1357989209        1.2763348885
  C        -6.4801099492       -2.3281217537        1.0495670337
  O         6.0975271835       -2.3832593897        1.1108485298
  C        -6.3986538357       -0.9074334091        1.1753002844
  B        -7.8402955671       -3.0678080253        1.1408809084
  C        -5.1684123495       -0.2203379102        1.1916117333
  O        -7.7688980975       -4.4008297444        1.1735446860
  H        -5.1657457810        0.8821010416        1.2750618438
  B        -8.9214976900       -5.1943087371        1.2378229613
  H        -7.2414284290       -0.2429893261        1.2920680293
  O       -10.0921105120       -4.5184646040        1.4476948586
  H        -3.1098764462       -2.9180812315        1.1013924683
  C        -1.3575169746        6.3366914774        1.1369042507
  H        -5.2021908143       -4.0861480358        0.7838528089
  C        -0.1242822358        5.5193736400        1.1160036443
  H         0.6755096922        3.4352459848        0.9684460140
  C        -0.1593071302        4.1479970631        0.9810963857
  H         0.8232604514        6.0526343981        1.1045224585
  C        -1.3876829441        3.4669156846        0.7957516841
  H        -3.5464549249        3.7068405018        0.6757627493
  C        -2.6487936962        4.2591957345        0.7583499453
  H        -3.5114130009        6.1990269495        0.9026476538
  C        -2.5804498861        5.6345228265        0.9659024008
  H         4.5740372995       -0.3570350851        1.2667203578
  B        -1.4766623613        1.9487297083        0.9009317426
  H         2.5116305702        0.8358614432        1.3707220951
  O        -0.2779575325        1.2210666681        0.9504361920
  H         2.3944194667       -4.1187943282        1.2662840819
  B        -0.2477461324       -0.1265404850        1.0788311428
  H         0.2570063026       -2.7574258806        1.2101433406
  C         5.0651275879       -1.3875588619        4.2940258533
  O         2.5218844837        0.1220797012        4.3857922804
  C         5.0362816846        0.0454139820        4.5586159071
  B         1.4190856056        0.9506246430        4.1488070504
  C         6.2362777382        0.7745040367        4.7207150885
  O         1.4609500292        2.2772078039        3.9874398014
  C         7.5045893816        0.0935525692        4.6402469363
  C         0.0031085586        0.2507814713        4.1429849037
  C        -7.6041095887       -1.3522997366        4.5773277016
  C        -0.1072053878       -1.1428361934        4.4658199117
  C         6.2611444206       -2.0399552517        4.4510612531
  C        -1.2446947799       -1.8174547866        4.5638253068
  B        -6.2356442771       -2.1663212635        4.3937723369
  C        -2.4477307931       -1.1942788305        4.3469703686
  O        -5.0677130796       -1.5094868801        4.2361018156
  C        -2.4112717172        0.2156515955        4.1824271287
  B        -3.7886619500       -2.0272313170        4.2692172042
  C        -1.2595454251        0.8719560578        3.9984361361
  O        -3.6960521637       -3.4187941400        4.4662284027
  H        -1.1528274081        1.9629211385        3.8297214074
  B        -4.8563448357       -4.1872784096        4.5325288099
  H        -3.4087612674        0.6943807409        4.1106285265
  O        -6.1129110937       -3.6013078322        4.6810289450
  H         0.8903381257       -1.4767907575        4.6995311716
  C        -4.7878954235       -5.7909445156        4.5154775250
  H        -1.2488315656       -2.8617779953        4.7622330800
  C         3.9659458702        6.5383760804        4.7165309327
  H         4.5724081496        4.4261949977        5.1105732642
  C         3.8109325694        5.1460399486        4.8545144626
  H        -2.6719457711       -6.0403219686        5.0166266682
  C         2.7083837925        4.4652026157        4.3869516689
  H         0.7144588722        4.6529981250        3.6325832747
  C         1.5877492663        5.2019158331        3.9579678466
  H        -6.7504883451       -5.9383616637        3.6389364350
  C        -5.8690630683       -6.4865589249        4.0414355203
  H        -6.6870942762        0.6350290261        4.8331387449
  B         2.6181517526        2.9504062185        4.4926968263
  H         6.1943470654        1.8468807552        4.7680529074
  O         3.6544766209        2.1882304561        4.9357589401
  H        -8.8912974086       -3.1353040928        4.3301578643
  B         3.6737514996        0.8170265999        4.7073873274
  H         4.1282159522       -1.9086596923        4.1697128860
  C         2.8652418584       -1.5638932627        8.0754490225
  O         0.2961858111       -0.0895039851        7.9013925284
  C         2.8383134420       -0.1699447318        7.9243804086
  B        -0.8744844790        0.5586542605        7.5880536758
  C         4.0495843342        0.5499419168        7.7741879141
  O        -0.9637998042        1.9023709752        7.3514007558
  C         5.2678253896       -0.1319733016        7.9224209551
  C        -2.2092130914       -0.2971002027        7.7186500453
  C         5.3032503069       -1.5634596374        8.0019065033
  C        -2.2775808529       -1.6734391629        7.7531125644
  C         4.0944730509       -2.2632552143        8.0826624581
  C        -3.4512336194       -2.4141917002        7.8589000431
  B        -8.5095517793       -2.4648010547        7.8666291749
  C        -4.7293236671       -1.6485065696        7.8697699111
  O        -7.2707099482       -1.7261371086        7.9903555898
  C        -4.6386440352       -0.2298470205        7.8591203076
  B        -6.1446124168       -2.4302508212        7.8823680867
  C        -3.4027937061        0.4142870020        7.7495286766
  O        -6.1560657718       -3.8092050614        7.7812988066
  H        -3.4171493806        1.5108154936        7.7475301948
  B        -7.3069092017       -4.5428663151        7.7206458686
  H        -5.5511407976        0.3348489976        7.9160583209
  O        -8.5372324256       -3.8442020692        7.7557727085
  H        -1.3553837028       -2.2672271046        7.8407107552
  C        -7.3492357988       -6.0483279894        7.6107584777
  H        -3.3663624876       -3.5343512395        7.8423879322
  C         1.3814484388        6.2692128905        7.6575772501
  H         2.3339766219        4.4293212905        7.6998010804
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  H        -5.2023552930       -6.3542463830        7.7020497773
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  H        -2.0449764922        4.2954248881        7.7579507533
  C        -1.1264210643        4.9298020841        7.6932690278
  H        -9.5956272803       -6.2376752637        7.6711054065
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  H         4.0528648911        1.6512928455        7.7061243207
  O         1.3490625594        2.0376715890        7.8299091467
  H         4.1252548571       -3.3463160976        8.1104491812
  B         1.4892152471        0.6455491670        7.8886010033
  H         1.9218237228       -2.2115288202        8.0848562222
  C         4.1381104916       -0.4493757997       -8.9663854414
  O         1.5408867467        1.0420029434       -8.6404988500
  C         4.0961966092        0.9857362956       -8.7900384829
  B         0.3194418293        1.5791454951       -9.0042814666
  C         5.2990820262        1.7009574738       -8.7197582269
  O         0.3417015492        2.9485405671       -9.2929020904
  C         6.5243346600        1.0104433110       -8.8653243848
  C        -0.9868266729        0.6745282464       -9.1413902055
  C         6.5852769009       -0.3976895533       -9.0658454791
  C        -1.0152022628       -0.7018756529       -9.1237901364
  C         5.3828635155       -1.1198536338       -9.1627831213
  C        -2.2282551050       -1.3812528079       -9.1118889972
  B        -7.2320827030       -1.2473932224       -8.9960794182
  C        -3.3890543345       -0.6547405610       -9.1782756181
  O        -5.9547728178       -0.5800657836       -8.9951453975
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  B        -4.8145595461       -1.4257080798       -9.1708391794
  C        -2.1641181454        1.4055259592       -9.1255131883
  O        -4.9386880977       -2.7869632381       -9.2611755259
  H        -2.1134214859        2.4488506677       -9.0647833085
  B        -6.1734776100       -3.4372443057       -9.2353883452
  H        -4.3183445367        1.3832084808       -9.1044558465
  O        -7.3807137132       -2.6925702317       -9.2070817250
  H        -0.0198410511       -1.2226628124       -9.0701522571
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  H        -2.1882304000       -2.5299658312       -9.0791896651
  C        -4.9619998228       -5.6126817819       -9.0666185301
  H         3.5722489266        5.5038190382       -8.8476758723
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  H        -4.1002517761       -4.9347360250       -9.0082731787
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  H        -0.6739886353        5.3552239867       -9.1445483493
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  H        -8.3714533276       -5.1505450153       -9.2994590918
  C        -7.3623638423       -5.6668392991       -9.2243341926
  H         7.4580485898        1.5389591731       -8.9242517597
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  H         5.1165394256        2.8070331386       -8.6459800751
  O         2.7242650838        3.0986763193       -8.9881522810
  H         5.3772457408       -2.1807967081       -9.4069237184
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  H         3.1649126756       -0.9836410641       -8.8909004786
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  O        -1.2783509658       -2.1153009035       -5.7184864787
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  X         5.6861925558       -1.6340862031        4.6787537876
  X        -4.6113829012       -1.7481297340       -2.0037081101
  X        -4.0509882506       -1.9440641747        7.5797418681
  X         0.8971990106        5.6812019738       -8.8562802495
  X        -4.6726486038       -2.5284844295        0.7593543021
  X         3.1087062266       -4.0005164812       -5.8862253687
  X        -0.7506193093        4.7963745981       -2.2494054369
  X        -3.9925919914       -0.0445460916        7.5188326186
  X         1.9505214687       -1.8757375306       -5.4999701549
  X         8.0322169473        1.6755356110       -3.1673413508
  X         6.3412804244        4.6799917068        9.5975491269
  X         6.2242087035        5.0736783629       -4.0740843549
  X         4.5951184919        2.6676981994       -0.3890472682
  X         2.5060443018       -5.1517950605        6.8612710729
  X         1.7444653874       -6.4393887947        0.1405281908
  X        -3.0938889250        3.9489625794        5.2482051373
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0975378688        3.0652270022        5.3739462875
  C        -4.8213891522        3.6292174164        6.0034419657
  H        10.1457006108        4.6284476131        6.3800836878
  H        -4.6516181221        2.9825865247        6.7772890936
  C         8.6457565972        3.7539613800        4.1777093192
  H         7.7684889771        3.2876292628        3.7650811188
  H         8.4754071186        4.8110430916        4.4015182297
  C        -3.6763161172        3.6028937413        4.9738366188
  H        -3.3351847160        2.5037365842        4.8128931157
  H        -2.7655860917        4.1054056488        5.4482163649
  C        -5.2853014414        3.6091550374        3.2160445216
  H        -5.1422654794        2.4957233546        3.0562366865
  H         9.7439753942        4.0216650686        2.1783167888
  O        -4.0442397343        4.1599789635        3.7283598997
  O         5.9836561419        3.2047843450        2.0671302478
  C         4.6116212744        3.6376767236        1.8896034597
  H         3.8057099504        2.8581559180        2.1066197627
  H         4.4493109269        4.4470161062        2.6544262635
  C         6.2348716305        2.0708695383        1.2398693756
  H         7.3091186814        1.8047643261        1.3956020500
  H         5.6462702170        1.2647828497        1.6543127310
  C         4.4333865898        4.0296209363        0.3826485309
  H         4.9591585567        4.9572095574        0.1481562501
  H         3.3651171221        4.2882427847        0.0908767230
  C         6.0783905582        2.2791628053       -0.2494779536
  H         6.8342134890        2.8957039882       -0.8009508723
  H         5.9863507061        1.4055941073       -0.8656753562
  O         4.7903694433        2.8694641580       -0.4837240566
  O         5.7128322626        4.4008281239        7.1333472551
  C         6.5485326179        3.2590229793        7.5922373151
  H         5.8897519824        2.3807383270        7.9440005196
  H         7.0936430867        2.9353472467        6.7045520579
  C         4.9668849613        4.9486881055        8.2328758277
  H         4.3076750382        5.7152302372        7.8514849120
  H         4.2769490416        4.1977063794        8.6364690360
  C         7.4435495757        3.6548874720        8.7611001024
  H         8.2547854230        4.3719959597        8.6137465587
  H         7.8388755798        2.7261349862        9.1288451211
  C         5.8850508523        5.3912168620        9.3197132044
  H         6.7147229541        6.1741927865        8.9440683896
  H         5.3334224731        5.8126883239       -9.9851083073
  O         6.6122025099        4.2284230865        9.8257005994
  O         4.5302935876        5.9916950898       -6.3386411595
  C         5.7977619172        5.3368156595       -6.4447277896
  H         5.6940269050        4.2255825749       -6.3620478644
  H         6.3132586617        5.5735918686       -7.3671791466
  C         3.9887014051        5.6113698149       -5.0647463097
  H         2.9563463323        6.0873146215       -5.0427898544
  H         3.7146630707        4.5108821182       -5.0401324036
  C         6.7969094870        5.7504796090       -5.3573611007
  H        -0.5086607752       -6.2598833314       -5.3335002513
  H         7.7886261175        5.2770014577       -5.6049081199
  C         4.9750431857        5.9136166436       -3.8932841735
  H        -2.6533723228       -6.0471297257       -3.7163436577
  H         4.5951787196        5.4283990952       -2.9939551681
  O         6.2647648116        5.3759868187       -4.0482466888
  O        -5.5858409797        3.3793913479       -5.1839355870
  C        -5.1078618901        3.3874902325       -3.8143733782
  H        -4.2112484122        2.7207802924       -3.7789808973
  H        -4.8333418325        4.4666662295       -3.6353790698
  C         8.7331537038        2.1956504713       -5.6484783489
  H         8.2986932665        2.5505834219       -6.5603436235
  H        -5.6293892712        1.3571149215       -5.8829937814
  C         8.9024648628        2.9765384548       -2.9349186668
  H         8.0935552217        3.7221670278       -3.0019719685
  H         9.2130216738        2.8938501409       -1.8921505243
  C         7.6332720568        1.8954998879       -4.6790900314
  H         6.8412158313        2.6308269215       -4.6134545668
  H         7.1872506766        0.9184182757       -4.8683376305
  O         8.2450403005        1.6973056514       -3.3546913161
  O         0.2652196628       -5.4102694087        4.8521699574
  C         1.6751034281       -5.4540585689        4.3965344256
  H         2.0169561061       -6.4850536443        4.3453970506
  H         1.6111967252       -4.9587894590        3.4843540922
  C         0.0702313546       -5.8312804987        6.1734352091
  H        -1.0380899079       -5.6929201862        6.4001853978
  H         7.7518522454        6.1623811993        6.2479772500
  C         2.4828867078       -4.6650775113        5.2791169713
  H         2.1773899259       -3.6741586815        5.3675344037
  H         3.5090181415       -4.6803048458        4.9802901164
  C         1.0089226747       -5.1232730813        7.1354220568
  H         0.7450845414       -4.0240055037        7.0834050894
  H         0.8908747364       -5.4380794484        8.2075931966
  O         2.3418623598       -5.3143232077        6.6756830954
  O         1.5349249311       -6.2377713123        0.0872648132
  C         0.5301838589       -6.4476444394        1.0032694279
  H         7.7788559071        5.5241591424        1.1070229379
  H         1.0063281110       -6.0883422030        2.0104860678
  C         1.0541316653       -6.4217888728       -1.2744697673
  H         1.8840735151       -6.2426809584       -1.9350943627
  H         8.2917139645        5.5775674093       -1.3405748182
  C        -0.6925632028       -5.6429888083        0.6935199410
  H        -0.6817719090       -4.5554288901        0.7990442291
  H        -1.5179059726       -6.0272928151        1.2481312310
  C        -0.0483737242       -5.4178023797       -1.5429411745
  H         0.3219508719       -4.3687659843       -1.3917100857
  H        -0.3910735121       -5.6131741745       -2.5621048005
  O        -1.1196931467       -5.8578613426       -0.6811636142
  C         1.1657858030       -2.2932512762        1.1200391552
  O        -1.4672717876       -0.7828215284        1.0226785328
  C         1.1569055946       -0.9072577578        1.1727549392
  B        -2.6533367629       -0.1046078691        1.0653637216
  C         2.4289485324       -0.2604563202        1.2568966638
  O        -2.6628875918        1.2672741082        0.9219627447
  C         3.6236781531       -0.9580269722        1.2385574167
  C        -3.9884393455       -0.9031286889        1.1749640518
  C         3.6043054215       -2.3550595905        1.2144803420
  C        -4.0390712799       -2.3418734886        1.0539642076
  C         2.3498608325       -3.0182116110        1.2374713534
  C        -5.2188295882       -2.9851372863        0.9858683426
  B         4.9141318032       -3.1262852921        1.2665762756
  C        -6.4626344030       -2.3342196130        1.0450701905
  O         6.0905215745       -2.3884594455        1.1024464464
  C        -6.3952635867       -0.9075001201        1.1776150836
  B        -7.8518648385       -3.0528970132        1.1242415888
  C        -5.1746239665       -0.2102097959        1.2136073385
  O        -7.7668919474       -4.3976712303        1.1833523404
  H        -5.1422561032        0.8638017583        1.2582234680
  B        -8.9088620654       -5.1778190651        1.2397357741
  H        -7.2462155543       -0.2185180878        1.2846567008
  O       -10.0741077003       -4.5213906547        1.4711866967
  H        -3.1365351168       -2.9649923540        1.0614810214
  C        -1.3493355012        6.3309286493        1.1257034779
  H        -5.2055514939       -4.0627741981        0.8293579713
  C        -0.1229513150        5.5371546205        1.1146193468
  H         0.7115218466        3.4241348129        0.9387314661
  C        -0.1635964109        4.1525466598        0.9686459706
  H         0.8038276818        6.0789034944        1.1334754252
  C        -1.4063023062        3.4701001394        0.7893839317
  H        -3.5115930031        3.6388378301        0.6782462294
  C        -2.6565478464        4.2498661883        0.7563434693
  H        -3.5168286658        6.1967107943        0.9362016807
  C        -2.5832616665        5.6356687887        0.9831977160
  H         4.5855295078       -0.4159807312        1.2591874392
  B        -1.4694092859        1.9496495631        0.8931586694
  H         2.4877829557        0.8522491134        1.4109337642
  O        -0.2842039834        1.2164705124        0.9518223331
  H         2.4029208284       -4.1237855503        1.2577924995
  B        -0.2566117234       -0.1257719544        1.0679403462
  H         0.1817803654       -2.8060638598        1.1799540760
  C         5.0775215305       -1.3742916001        4.3039258996
  O         2.5228624102        0.1160299921        4.3773159440
  C         5.0440668337        0.0404804264        4.5600774223
  B         1.3908423233        0.9482617195        4.1412108793
  C         6.2345427468        0.7703297631        4.7187586886
  O         1.4658743732        2.2766200717        3.9989133735
  C         7.5001217408        0.0749794861        4.6143467561
  C         0.0008082069        0.2352593248        4.1468786502
  C        -7.5905064949       -1.3444299886        4.5900726676
  C        -0.1097506590       -1.1322217498        4.4560460988
  C         6.2531023309       -2.0365780892        4.4439062533
  C        -1.2570371213       -1.8057354483        4.5549439763
  B        -6.2406885695       -2.1614358786        4.3938689391
  C        -2.4546287455       -1.1887936908        4.3343634789
  O        -5.0757958440       -1.5237233855        4.2510561373
  C        -2.4008861346        0.2045580473        4.1741510374
  B        -3.7991508592       -2.0175078623        4.2422509647
  C        -1.2399667738        0.8891966507        4.0043608690
  O        -3.6960840781       -3.3953724479        4.4754663730
  H        -1.1356192543        1.9752090735        3.8620578759
  B        -4.8469584100       -4.1951412304        4.5073448691
  H        -3.3823760924        0.6962605384        4.1732921175
  O        -6.1165147310       -3.6171920623        4.6780616047
  H         0.8505353417       -1.5124980057        4.6368494725
  C        -4.7680521987       -5.7770217333        4.5155575837
  H        -1.2339855409       -2.8671433253        4.7812314217
  C        -3.5817981145       -6.5344901631        4.7259954433
  H         4.6232616429        4.4440397302        5.1887623630
  C         3.7937204459        5.1502654743        4.8570075874
  H        -2.6593006423       -6.0586750916        4.9824774924
  C         2.7042668118        4.4590244626        4.3821210104
  H         0.7207806966        4.6381628424        3.5627787841
  C         1.5891732345        5.2012983399        3.9685814056
  H        -6.7475737965       -6.0034025015        3.6631838778
  C        -5.8755021107       -6.4823732513        4.0314941851
  H        -6.6607416168        0.6211441140        4.8265462670
  B         2.6068793304        2.9536355888        4.4837995227
  H         6.2073762805        1.8825972793        4.7993916153
  O         3.6293911783        2.1929998528        4.9507602623
  H        -8.8403124637       -3.1045524284        4.2889577179
  B         3.6674750578        0.8166675192        4.7044715625
  H         4.1444768486       -1.8991009498        4.2106808772
  C         2.8645192710       -1.5575708888        8.0894593406
  O         0.2950038322       -0.0900411324        7.9004142359
  C         2.8326959640       -0.1731434311        7.9240484317
  B        -0.8728461226        0.5512423310        7.5965470378
  C         4.0608440952        0.5707951251        7.7730039978
  O        -0.9586346059        1.8884130226        7.3680778371
  C         5.2735497679       -0.1190092929        7.9079198953
  C        -2.2036656305       -0.3003789919        7.7277483463
  C         5.3289955395       -1.5808330345        8.0082324679
  C        -2.2668970045       -1.6711525004        7.7494386113
  C         4.1093299614       -2.2628312777        8.0919593480
  C        -3.4478361222       -2.4101497403        7.8331502591
  B        -8.5049722217       -2.4662198794        7.8699093523
  C        -4.7314430601       -1.6398673756        7.8813631636
  O        -7.2928079262       -1.7246461621        8.0128077363
  C        -4.6386409232       -0.2394606429        7.8630111583
  B        -6.1310079515       -2.4209466698        7.8810334409
  C        -3.4250113284        0.4237443701        7.7387497880
  O        -6.1578924157       -3.7919692066        7.7760189955
  H        -3.4529917292        1.4855574551        7.7819864592
  B        -7.3296102496       -4.5572148777        7.7299214871
  H        -5.5823125482        0.3221878317        7.8814309250
  O        -8.5297402790       -3.8464928425        7.7576161646
  H        -1.3238287185       -2.2581396923        7.7958665440
  C        -7.3582919873       -6.0332937088        7.6029573880
  H        -3.3850347473       -3.5060314686        7.8254340385
  C         1.3750061481        6.2823321131        7.6328807766
  H         2.3497587479        4.4139613670        7.6657884433
  C         1.3293198211        4.8576514505        7.5838326327
  H        -5.1769555617       -6.3005929938        7.7168489902
  C         0.0899481312        4.2037249923        7.5579756377
  H        -2.0347755383        4.3252991283        7.7770392875
  C        -1.1191889090        4.9402740858        7.6822840167
  H        -9.5245430961       -6.2510165047        7.7102463788
  C        -1.0640048157        6.3062177092        7.7124947642
  H         6.1268444982        0.4709488395        7.8317225754
  B         0.1858480898        2.6696531681        7.5399553777
  H         3.9610000165        1.6658330612        7.6526126830
  O         1.3470533217        2.0472177123        7.8218213669
  H         4.1380230557       -3.3310708970        8.0711162520
  B         1.4842702790        0.6250784515        7.8840165242
  H         1.9209748633       -2.1654887729        8.0415173663
  C         4.1401348366       -0.4587034219       -8.9586399505
  O         1.5593984291        1.0423097443       -8.6379511902
  C         4.0932252323        0.9653980727       -8.7776558404
  B         0.3197863337        1.5877222342       -9.0090774985
  C         5.3107530740        1.6987486366       -8.7378522115
  O         0.3535171859        2.9423932025       -9.2925940718
  C         6.5284072151        1.0099133175       -8.8556020684
  C        -0.9864027769        0.7061308768       -9.1306209583
  C         6.6010849853       -0.4076720597       -9.0494731949
  C        -1.0281429661       -0.6869348658       -9.1479931658
  C         5.3827815997       -1.1180044825       -9.1611172934
  C        -2.2327033074       -1.3794543857       -9.1341966068
  B        -7.2185880996       -1.2455769202       -8.9836985708
  C        -3.3974071040       -0.6517168141       -9.1677655440
  O        -5.9462933088       -0.5762060500       -8.9920604828
  C        -3.3878575513        0.7774519265       -9.1325699140
  B        -4.8169175057       -1.4292953001       -9.1612974375
  C        -2.1678400550        1.4231340108       -9.1055058989
  O        -4.9401001420       -2.7964234125       -9.2607783223
  H        -2.1333849899        2.5070852257       -9.0314334044
  B        -6.1754673375       -3.4127020597       -9.2536818668
  H        -4.3767519787        1.3801207170       -9.1087578399
  O        -7.3873815828       -2.7032801259       -9.1947782947
  H        -0.0952192164       -1.2480776332       -9.0586536587
  C        -6.1980566607       -4.9783034442       -9.2555404032
  H        -2.1702027530       -2.5290364626       -9.0579048230
  C        -4.9627062574       -5.6253442553       -9.0508905217
  H         3.6100148559        5.5663824826       -8.8495984487
  C         2.6488684261        6.0537063191       -9.0291740475
  H        -4.1502121637       -4.9515180112       -9.0166055991
  C         1.4357490667        5.2681644411       -9.0995867423
  H        -0.6221947063        5.3574564319       -9.1497333562
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  H        -8.3525902506       -5.1932274329       -9.3260550955
  C        -7.3602484841       -5.6802556821       -9.2189334395
  H         7.4543813790        1.5691307408       -8.9089556474
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  H         5.1071878461        2.7690428949       -8.6750478197
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  H         5.3587108197       -2.1781026483       -9.4287172289
  B         2.7594606316        1.7180205479       -8.8214411679
  H         3.1893902703       -1.0127334097       -8.8886993070
  C         1.3461952228       -3.5360334541       -5.7068391347
  O        -1.2816448274       -2.1141001524       -5.7236649061
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  O        -2.3707429007       -0.0672566763       -5.7717339402
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  C        -3.8433462100       -2.2007427205       -5.8269454574
  C         3.7019792109       -3.6474441817       -5.9751402789
  C        -3.9811764725       -3.5522434634       -6.0396439545
  C         2.4831759043       -4.2756727787       -5.7923015614
  C        -5.2021591178       -4.2225299912       -6.1467372016
  B       -10.0222134831       -4.4461947911       -6.1817809739
  C        -6.3801222408       -3.5611249828       -6.0239695739
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  X        -5.6817247575       -2.0217564392       -5.4376627493
  X         4.7900492311       -0.6129415636       -9.3187142355
  X        -6.7268735560       -5.4126566869       -9.5153838891
  X         2.9148289782       -0.8142860377        8.2867322846
  X        -2.8908507395       -0.0333167936        7.4589147965
  X         1.4886802269        4.9035390370       -2.6036569383
  X        -2.4723954598        4.9683693233        0.5869166070
  X        -4.4929068276       -1.6918922115       -2.5579547002
  X        -2.8593002694       -0.8098213791       -2.4719026745
  X         2.0101916647       -3.7754704060       -5.4839254276
  X        -1.8441880782        4.6328242092       -5.8803454931
  X        -2.9060134107       -1.9235052155        8.0801056447
  X         8.0128463891        1.6658920689       -3.1601939886
  X         5.9154341204        4.6183626456        7.0681618886
  X         4.3514013767        5.8658659218       -6.5475831059
  X         2.5169896236       -5.1527872198        6.8653263459
  X         5.3005937159        2.6823466948       -0.3580436219
  X         0.5128568968       -5.9151859042       -1.4130300811
  X         8.8693868982        3.0947061220        5.5788012403
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.1046141666        3.0588392104        5.3768224928
  C        -4.8232373430        3.6331560694        5.9940303274
  H        10.1256760948        4.6208437832        6.3543758485
  H        -4.6176526535        2.9470969993        6.8092033040
  C         8.6385992829        3.7366851590        4.1946460035
  H         7.7747141310        3.3253512384        3.7999453946
  H         8.4293045171        4.7672266065        4.4191829982
  C        -3.6777506931        3.5930940316        5.0014065732
  H        -3.3346135397        2.5039212909        4.7900021407
  H        -2.7902683387        4.1112286881        5.4211155461
  C        -5.2685292599        3.6044484793        3.2338906210
  H        -5.1571044489        2.5238516427        3.1088427958
  H         9.7314348984        4.0097506123        2.2384397222
  O        -4.0403078031        4.1687311618        3.7167821719
  O         5.9673493288        3.1817153053        2.0709626852
  C         4.6162189308        3.6498393372        1.9013931671
  H         3.8121560059        2.8269536184        2.1155736822
  H         4.4189576954        4.4372388764        2.6231319638
  C         6.2456111790        2.0708341028        1.2402189436
  H         7.2846410842        1.8677369939        1.3632687531
  H         5.6333130857        1.2352276631        1.6259308663
  C         4.4122501674        4.0408939549        0.3874726562
  H         5.0224548066        4.9368051511        0.1289199994
  H         3.3669319447        4.2430336466        0.1233106007
  C         6.0808469877        2.2792992078       -0.2566731263
  H         6.8776842792        2.9076191843       -0.7285496413
  H         5.9799480329        1.3925138627       -0.8692246377
  O         4.7834186383        2.8707662648       -0.4799623889
  O         5.7136043920        4.3911287283        7.1268999025
  C         6.5497462294        3.2739179580        7.5978388900
  H         5.9897475322        2.3544890925        7.9778757959
  H         7.1648128575        2.9737488727        6.7211014326
  C         4.9796882367        4.9501527780        8.2416525781
  H         4.3124139639        5.7723061946        7.8315707021
  H         4.2669901127        4.1873575510        8.6641468521
  C         7.4416675826        3.6665991582        8.7658505632
  H         8.2810246801        4.4062029976        8.4785334739
  H         7.8746496529        2.7245425850        9.1263265087
  C         5.8928757118        5.3849991246        9.3255903204
  H         6.6492954880        6.1705663087        8.9889886288
  H         5.3422164660        5.7838202510      -10.0023369253
  O         6.6189713807        4.2232673454        9.8163099859
  O         4.5506113132        5.9834831220       -6.3297612219
  C         5.8152835047        5.3284334417       -6.4283191965
  H         5.7427392367        4.2308383079       -6.3619876276
  H         6.3640910513        5.5067024358       -7.3377610674
  C         3.9860498068        5.6046573345       -5.0379538464
  H         2.9412593965        6.0747925881       -4.9583473063
  H         3.7716712667        4.5322838123       -5.1154397676
  C         6.7780719932        5.7589164391       -5.3443831426
  H        -0.5324536774       -6.2495167181       -5.3450226067
  H         7.7474387290        5.2277800562       -5.6119020113
  C         4.9907819472        5.9198990284       -3.8938381450
  H        -2.6386075888       -6.0278000950       -3.6913852389
  H         4.6022925670        5.4135811711       -2.9455823242
  O         6.2654384231        5.3746397478       -4.0425935786
  O        -5.5878194718        3.3740917885       -5.1699595183
  C        -5.1041513781        3.3961622405       -3.8282072148
  H        -4.1540811673        2.7157494628       -3.7572346498
  H        -4.8333237357        4.4678945709       -3.6108606795
  C         8.7132087761        2.1896410390       -5.6676044208
  H         8.3035343239        2.5429213190       -6.5630563728
  H        -5.6314371169        1.3913228480       -5.8236071566
  C         8.8927232791        2.9693774944       -2.9255974131
  H         8.0604937717        3.6743933552       -2.9550379908
  H         9.1592557315        2.8598633620       -1.8305452258
  C         7.6266840950        1.9020716401       -4.6823792595
  H         6.7656563688        2.6062398330       -4.6563062035
  H         7.2509000558        0.8544364084       -4.8605046825
  O         8.2322144108        1.6868550573       -3.3451907993
  O         0.2664434102       -5.4142136925        4.8548550229
  C         1.6689113974       -5.4406861547        4.4031431402
  H         1.9378318970       -6.5239857852        4.4563524428
  H         1.6032180549       -4.9368627762        3.4364229848
  C         0.0636800078       -5.8193086962        6.1887422188
  H        -0.9629089284       -5.6854802327        6.4211705191
  H         7.7369431037        6.1434990514        6.2457253501
  C         2.4785105234       -4.6813382494        5.2844860704
  H         2.1932684009       -3.6028920606        5.3452674572
  H         3.5488827493       -4.5658787561        4.9181302665
  C         1.0206730565       -5.1371724307        7.1284544773
  H         0.6614529219       -4.0370943904        7.0819207240
  H         0.9442529941       -5.4277118188        8.2367935790
  O         2.3586880906       -5.3137342364        6.6745172655
  O         1.5421946629       -6.2505316507        0.0825403840
  C         0.5479485524       -6.4558412251        1.0074733501
  H         7.8335640562        5.5756482763        1.1107704905
  H         1.0170710740       -6.1138052437        1.9318999674
  C         1.0500901764       -6.4099146757       -1.2758321045
  H         1.8980054839       -6.2825775845       -1.9725253271
  H         8.3802461714        5.5914888120       -1.3193963662
  C        -0.6861237177       -5.6563246014        0.6752135599
  H        -0.6880819163       -4.5669156400        0.7567704869
  H        -1.5818671670       -6.0754533605        1.2513009549
  C        -0.0560684408       -5.4003408343       -1.5196610943
  H         0.3309247377       -4.3810088438       -1.4346445268
  H        -0.4105395198       -5.5816426808       -2.5862361032
  O        -1.1170778576       -5.8439333634       -0.6795515783
  C         1.1666474480       -2.3036770276        1.1071153995
  O        -1.4691961039       -0.7638981942        0.9903216938
  C         1.1327560344       -0.9056234932        1.1705549468
  B        -2.6431385479       -0.1026118822        1.0627743722
  C         2.4281958758       -0.2521924928        1.2548367369
  O        -2.6670664502        1.2702464993        0.9226444555
  C         3.6000542490       -0.9564242709        1.2188546953
  C        -3.9741236986       -0.8941959147        1.1612571489
  C         3.5925307254       -2.3655053981        1.2150746363
  C        -4.0367395201       -2.3345573412        1.0663594332
  C         2.3659183931       -3.0197735343        1.2525272752
  C        -5.2121107243       -2.9912856559        0.9651351359
  B         4.9111081346       -3.1204659114        1.2559829790
  C        -6.4473915503       -2.3283814364        1.0423256257
  O         6.0780661757       -2.3920099547        1.0932196519
  C        -6.3912922226       -0.9053861826        1.1789895400
  B        -7.8494856479       -3.0355416703        1.1059606276
  C        -5.1856571358       -0.2034475214        1.2352614864
  O        -7.7635388017       -4.4023891668        1.1935258776
  H        -5.1254479407        0.8697538655        1.2502378816
  B        -8.8920960364       -5.1660419009        1.2431875160
  H        -7.2680802668       -0.2441938285        1.2696151427
  O       -10.0623073250       -4.5197688928        1.4949356171
  H        -3.1593195079       -2.9852317820        1.0090705585
  C        -1.3378677793        6.3190286852        1.1140959857
  H        -5.2160092459       -4.0547267274        0.8850025400
  C        -0.1298665654        5.5594439330        1.1102303432
  H         0.7252071811        3.4898809667        0.9227687514
  C        -0.1695114605        4.1506582388        0.9545477102
  H         0.8168841027        6.1103186590        1.1762815692
  C        -1.4311816372        3.4832092060        0.7862152875
  H        -3.5523282392        3.5722185864        0.6659902497
  C        -2.6460091580        4.2384169500        0.7578902051
  H        -3.5257022815        6.2081639960        0.9828081297
  C        -2.5869384193        5.6360205282        0.9968031525
  H         4.5728486874       -0.4873941646        1.2502225199
  B        -1.4588097306        1.9476486173        0.8822261423
  H         2.4491091460        0.8202913609        1.4306819580
  O        -0.2876944394        1.2174653365        0.9521709171
  H         2.3864771052       -4.1047158780        1.2431150938
  B        -0.2601142697       -0.1302580193        1.0566983814
  H         0.1283002728       -2.8479201617        1.1351519491
  C         5.0876410733       -1.3520958378        4.3209780537
  O         2.5206692668        0.1152506578        4.3682838750
  C         5.0501241640        0.0369167577        4.5635253814
  B         1.3582666292        0.9330028156        4.1358208104
  C         6.2392135124        0.7622155756        4.7134784632
  O         1.4717636187        2.2831156672        4.0110128248
  C         7.4912741344        0.0567651544        4.5942894529
  C        -0.0054772108        0.2186013801        4.1518587673
  C        -7.5789351554       -1.3396856393        4.5979689257
  C        -0.0982968917       -1.1126889733        4.4462721989
  C         6.2534515250       -2.0342610320        4.4352481942
  C        -1.2706381357       -1.8065115508        4.5467266974
  B        -6.2492728380       -2.1697750090        4.4048457735
  C        -2.4712425635       -1.1792554821        4.3193387253
  O        -5.0811915497       -1.5309209915        4.2625068829
  C        -2.4012085936        0.1932462434        4.1629426585
  B        -3.8050699641       -2.0130479380        4.2240101495
  C        -1.2114583628        0.9126019128        4.0119000891
  O        -3.6991816409       -3.3717924759        4.4824670604
  H        -1.1573839370        1.9839867326        3.8853641959
  B        -4.8392489771       -4.2024814808        4.4847565418
  H        -3.3405263704        0.7129032323        4.2232003272
  O        -6.1211494067       -3.6275548734        4.6716829535
  H         0.8713829395       -1.6258827614        4.5903837758
  C        -4.7444643534       -5.7622082448        4.5109412898
  H        -1.2164083079       -2.8878208246        4.7980965421
  C        -3.5882908734       -6.5335169089        4.7410053312
  H         4.6469101856        4.5359211234        5.2477842439
  C         3.7915534732        5.1505942963        4.8583507450
  H        -2.6182345123       -6.0629443873        4.9572936894
  C         2.6908170594        4.4559246658        4.3785891477
  H         0.7433331849        4.6709398506        3.5109537300
  C         1.5914952409        5.1983018824        3.9780946568
  H        -6.7834345777       -6.0119708140        3.6913428278
  C        -5.8869914184       -6.4831034967        4.0227361978
  H        -6.6530226762        0.5999156265        4.7952897344
  B         2.5913961580        2.9527220866        4.4713406895
  H         6.2156915363        1.8751717856        4.8370104707
  O         3.6072065280        2.1941280345        4.9675087835
  H        -8.7795058511       -3.0985209269        4.2624446739
  B         3.6655479454        0.8132215627        4.6970356314
  H         4.1334053794       -1.9052847220        4.2311439164
  C         2.8651227565       -1.5575962625        8.1015915224
  O         0.2977198103       -0.0906551930        7.8984695020
  C         2.8290475150       -0.1691543631        7.9238075299
  B        -0.8813030953        0.5355745094        7.6085773166
  C         4.0689526948        0.5856958241        7.7777529375
  O        -0.9529663622        1.8767451748        7.3828043450
  C         5.2727370715       -0.1139814515        7.8922180957
  C        -2.2018110144       -0.2923042946        7.7333657670
  C         5.3505967213       -1.5921508077        8.0122047016
  C        -2.2514791250       -1.6789422151        7.7477134297
  C         4.1190238444       -2.2558725892        8.0992978822
  C        -3.4519636374       -2.3967864023        7.8072826026
  B        -8.4955279346       -2.4603993237        7.8772598742
  C        -4.7264380412       -1.6413079092        7.8915422450
  O        -7.3177710537       -1.7251140362        8.0341352491
  C        -4.6392543549       -0.2511718506        7.8652593429
  B        -6.1085877039       -2.4104007849        7.8805230054
  C        -3.4456991395        0.4278419111        7.7301922298
  O        -6.1570605302       -3.7781969357        7.7722170685
  H        -3.4725857456        1.5049162192        7.8061237597
  B        -7.3520691466       -4.5593671794        7.7374367343
  H        -5.6000828375        0.3130893420        7.8576881086
  O        -8.5242975545       -3.8483174534        7.7604793510
  H        -1.3071283063       -2.2259119776        7.7330565659
  C        -7.3706728061       -6.0320310779        7.5993515238
  H        -3.4238748696       -3.4637255475        7.8112474392
  C         1.3691533340        6.2914998024        7.6072401058
  H         2.3074985423        4.3751677084        7.6152020210
  C         1.3368621298        4.8494483328        7.6044238515
  H        -5.1895037102       -6.2536177937        7.7237429265
  C         0.0811775683        4.1848567842        7.5475529518
  H        -2.0185123648        4.3896842892        7.7920677107
  C        -1.1090635257        4.9434485379        7.6679309801
  H        -9.5165151567       -6.2097755501        7.7634371373
  C        -1.0533027461        6.3058719131        7.6984619210
  H         6.1694547357        0.4703370110        7.8877195258
  B         0.1822688943        2.6714013592        7.5420403895
  H         3.8964544741        1.6483761120        7.6034142072
  O         1.3537938027        2.0487305997        7.8126011042
  H         4.1425443606       -3.3549609217        8.0316793509
  B         1.4753750089        0.6065411989        7.8791192438
  H         1.9508549813       -2.0834943367        8.0176667907
  C         4.1443667948       -0.4639342477       -8.9490470490
  O         1.5755791554        1.0397047485       -8.6375909966
  C         4.0941062406        0.9385718800       -8.7652381813
  B         0.3260146272        1.5937090974       -9.0138686036
  C         5.3160044389        1.6896693708       -8.7568349071
  O         0.3627373338        2.9363072396       -9.2928876912
  C         6.5327205642        1.0084003539       -8.8470428179
  C        -0.9769967798        0.7428750733       -9.1206977521
  C         6.6099079923       -0.4159883075       -9.0303034833
  C        -1.0371357280       -0.6732765501       -9.1691518586
  C         5.3786577962       -1.1125562446       -9.1571281441
  C        -2.2300149230       -1.3845426719       -9.1571921975
  B        -7.2008369831       -1.2461573593       -8.9780904935
  C        -3.4197486629       -0.6508957264       -9.1547739340
  O        -5.9413201927       -0.5815956609       -8.9883942358
  C        -3.3704256359        0.7611063663       -9.1245102392
  B        -4.8165989266       -1.4242480702       -9.1506574600
  C        -2.1767656003        1.4440321119       -9.0855204752
  O        -4.9405092860       -2.8046766368       -9.2611158694
  H        -2.1544297850        2.5736960527       -9.0014858977
  B        -6.1825770408       -3.3898172168       -9.2717178718
  H        -4.3556668972        1.3176466173       -9.1180269923
  O        -7.3879651465       -2.7059076443       -9.1789091540
  H        -0.1611158765       -1.2684348878       -9.0558607819
  C        -6.1886528927       -4.9819934484       -9.2423132954
  H        -2.1772782927       -2.4397890536       -9.0537780497
  C        -4.9674024144       -5.6445726012       -9.0397551851
  H         3.6399823997        5.6237369923       -8.8595862748
  C         2.6427057130        6.0337184652       -9.0216887018
  H        -4.1255169437       -4.9625894025       -9.0132893093
  C         1.4310393945        5.2746266314       -9.1231549391
  H        -0.6228026001        5.3575083269       -9.1682557493
  C         0.2596361923        5.9946713418       -9.1768731121
  H        -8.3017431020       -5.2442901125       -9.3434792397
  C        -7.3658781817       -5.7061492723       -9.2167253674
  H         7.4674234772        1.6062584810       -8.8773336678
  B         1.4928810035        3.7006101585       -9.1321070748
  H         5.1532250021        2.7367176336       -8.7007581769
  O         2.7185525955        3.0779617667       -8.9779601458
  H         5.3508426070       -2.1688278264       -9.4310561331
  B         2.7579190576        1.7147641171       -8.8077931757
  H         3.2315768997       -1.0419278534       -8.9051733822
  C         1.3443450916       -3.5409652720       -5.7188441883
  O        -1.2845489408       -2.1122909024       -5.7292253451
  C         1.2796681192       -2.1267976532       -5.6987896930
  B        -2.4802917043       -1.4045628287       -5.7907941788
  C         2.4734216801       -1.4340690006       -5.8300386860
  O        -2.3754430404       -0.0583089614       -5.7842720082
  C         3.6599771291       -2.2208406161       -5.9880282637
  C        -3.8474546723       -2.2119673076       -5.8496601907
  C         3.7068219082       -3.6387237998       -5.9765526959
  C        -3.9970997487       -3.5604151699       -6.0332143243
  C         2.4831288026       -4.2684759839       -5.7958916362
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  X        -2.3415859181       -0.9911242680        7.4725773929
  X         5.8725882235        1.2336741652       -8.5177512893
  X        -2.3784677115        3.6947239448       -5.7980118662
  X        -4.6869219748       -2.5732968173        1.3305333713
  X        -0.1172336988        5.8111324223       -2.7148385313
  X        -5.0843948148       -6.3108520258       -8.7564431872
  X         1.6434640590        5.8936112215        4.3129537526
  X         4.5935641682        0.1976536459        8.1293073940
  X        -1.9462913476        3.9439930970        0.5130775481
  X        -2.8816067584       -2.6457874731       -2.4671213227
  X         6.0053307849       -0.6241189119       -9.3436347357
  X         0.9346653877        5.6939977673       -9.4265167351
  X        -2.7278209850        1.0051254251       -9.3929861138
  X         3.4778519909       -0.9375072651       -3.1276570827
  X        -0.2905108638        4.8292683951        1.3220954081
  X         0.1277374040       -5.6265046336        4.6931698679
  X         7.9977407359        1.6573233328       -3.1538209868
  X         6.4038558169        4.0157911365        9.8552896242
  X         6.2788608162        5.5621177189       -5.8726510322
  X         1.6089417033       -5.9533935011        0.1162863460
  X         9.2244131060        3.7045489639        3.6952263903
  X         4.5958595453        2.6531171999       -0.3813205542
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.1093775447        3.0518796114        5.3834253361
  C        -4.8254700630        3.6298965079        5.9771856117
  H        10.0829077615        4.6796766865        6.3432998061
  H        -4.5702792843        2.9038432885        6.8723542529
  C         8.6462223556        3.7245137310        4.2127268067
  H         7.6935977972        3.2887592167        3.8089810025
  H         8.3693920984        4.7653765948        4.4520932864
  C        -3.6753865879        3.5771217621        5.0256307499
  H        -3.3650674975        2.5710607949        4.7946857712
  H        -2.8285924874        4.1254615591        5.3647961575
  C        -5.2519898543        3.5982296126        3.2513954544
  H        -5.1531566444        2.5282248335        3.1545136078
  H         9.6964975813        4.0320768502        2.2719304803
  O        -4.0377629541        4.1772064566        3.7096536743
  O         5.9484923711        3.1616130078        2.0748565711
  C         4.6137422759        3.6559264749        1.9046578087
  H         3.8912178551        2.8302594175        2.1122686103
  H         4.4016975003        4.4496459550        2.5791200822
  C         6.2582107941        2.0667757611        1.2385034481
  H         7.3156844199        1.9062526891        1.3661866895
  H         5.6258394142        1.1924063912        1.5815788286
  C         4.3978174937        4.0467436567        0.3948252519
  H         5.0885745185        4.9015522803        0.1048136751
  H         3.3627009197        4.1909591926        0.1700512322
  C         6.0763764877        2.2865857569       -0.2634769590
  H         6.9130486481        2.9163860842       -0.6314653863
  H         5.9983091178        1.3341763018       -0.8642544613
  O         4.7727449870        2.8783594103       -0.4751246613
  O         5.7144002538        4.3790682475        7.1259183338
  C         6.5511286049        3.2887280035        7.6017388978
  H         6.0809008936        2.3936474395        7.9798656686
  H         7.2220543310        3.0238827588        6.7558606645
  C         4.9856717434        4.9507468934        8.2456699763
  H         4.3637217939        5.8028095715        7.8261725377
  H         4.2791709360        4.1931144240        8.6837225025
  C         7.4380389223        3.6824391374        8.7681329082
  H         8.2601677186        4.3979570787        8.3645767814
  H         7.9240695955        2.7307861664        9.1436165110
  C         5.9069579174        5.3787348960        9.3329265578
  H         6.5533837472        6.1397149151        9.0367225988
  H         5.3382251331        5.7654650771      -10.0049427572
  O         6.6254682074        4.2189784345        9.8078204640
  O         4.5715467766        5.9741121425       -6.3193221795
  C         5.8348825100        5.3215250833       -6.4081804504
  H         5.7638319923        4.2232203505       -6.3587997089
  H         6.3903722422        5.4742576388       -7.3713201281
  C         3.9829275232        5.5971952133       -5.0145069470
  H         3.0096273515        6.0607467268       -4.8681616297
  H         3.8385758175        4.5262138597       -5.1795898713
  C         6.7631915593        5.7627689013       -5.3331557029
  H        -0.5725925313       -6.2212651332       -5.3642330181
  H         7.6715643140        5.1879595400       -5.5644611401
  C         4.9929466574        5.9274884207       -3.8878364896
  H        -2.5834326582       -6.0607618479       -3.6816215616
  H         4.6218544476        5.4358464328       -2.9462634423
  O         6.2694507583        5.3741485280       -4.0407402960
  O        -5.5919465742        3.3694278296       -5.1611232639
  C        -5.0960858521        3.3992323391       -3.8447034784
  H        -4.1668510972        2.7615177588       -3.7279135414
  H        -4.8338753911        4.4258370262       -3.5950668407
  C         8.7018623470        2.1893282931       -5.6755400820
  H         8.2849441563        2.5575540646       -6.6528465137
  H        -5.6667199156        1.4151979290       -5.7656385777
  C         8.8772107586        2.9565414757       -2.9095186297
  H         8.0249586107        3.6629657895       -2.9047327297
  H         9.1127157163        2.8143756106       -1.8187556459
  C         7.6195046919        1.8956472568       -4.6792671542
  H         6.7170583266        2.5864359358       -4.6934915351
  H         7.3020545269        0.8337980951       -4.8625922829
  O         8.2200819410        1.6830323562       -3.3358795690
  O         0.2667571890       -5.4150283173        4.8557015359
  C         1.6512597866       -5.4336213951        4.4082149071
  H         1.8874713513       -6.5297494238        4.5241732888
  H         1.6107178359       -4.9286714385        3.3578452267
  C         0.0605895437       -5.8184548090        6.2032275509
  H        -0.9550227723       -5.6379637375        6.4618284008
  H         7.7313456866        6.1345870297        6.2486735883
  C         2.4850401186       -4.6882794519        5.3022692081
  H         2.1839748249       -3.5450563196        5.3416321775
  H         3.5621794055       -4.5023076205        4.9056676724
  C         1.0281651208       -5.1439132169        7.1238579819
  H         0.6258592552       -4.0902145859        7.0886435303
  H         1.0042708157       -5.4207187470        8.1869682035
  O         2.3781415529       -5.3092313172        6.6680722577
  O         1.5555475564       -6.2619893091        0.0723393184
  C         0.5623267712       -6.4609437017        1.0156368303
  H         7.8758829610        5.5826182457        1.1148260481
  H         1.0032641067       -6.1490973029        1.8900656730
  C         1.0530313547       -6.3976177749       -1.2745049104
  H         1.9171940234       -6.2973325278       -1.9919999584
  H         8.4099078250        5.6102721378       -1.3354961827
  C        -0.6930536811       -5.6713190684        0.6587250570
  H        -0.6597090419       -4.5654379431        0.7624769307
  H        -1.5954446114       -6.0907216010        1.2445592820
  C        -0.0649378824       -5.3950355437       -1.5078262962
  H         0.3220084930       -4.3777779048       -1.4417159006
  H        -0.4196082402       -5.5205986639       -2.5615984589
  O        -1.1153438123       -5.8287122433       -0.6793941142
  C         1.1575307537       -2.3191189229        1.0981410472
  O        -1.4683396143       -0.7517867364        0.9584893888
  C         1.1124355433       -0.9023710080        1.1666948311
  B        -2.6374952989       -0.1010974182        1.0586382977
  C         2.4181562431       -0.2441440826        1.2530901185
  O        -2.6714617608        1.2726799495        0.9243232336
  C         3.5802291695       -0.9567768069        1.1979541718
  C        -3.9594328647       -0.8910239292        1.1477788773
  C         3.5779940131       -2.3744856328        1.2191218124
  C        -4.0252695781       -2.3209340494        1.0767755813
  C         2.3803433253       -3.0202124121        1.2629738155
  C        -5.2133428364       -2.9990411323        0.9447983692
  B         4.9103349968       -3.1224443339        1.2481471050
  C        -6.4370015129       -2.3135127557        1.0401401680
  O         6.0623261225       -2.3923417265        1.0818994407
  C        -6.3870226342       -0.9025861236        1.1792775208
  B        -7.8330578922       -3.0199414539        1.0880916907
  C        -5.1956310840       -0.2007781496        1.2549800843
  O        -7.7582634145       -4.4083920521        1.2030718419
  H        -5.1265616446        0.9057528987        1.2515158859
  B        -8.8752160818       -5.1632488702        1.2514763787
  H        -7.2972955726       -0.3153520948        1.2477639337
  O       -10.0575389994       -4.5134453732        1.5170648803
  H        -3.1680131036       -2.9758176359        0.9581829812
  C        -1.3272511328        6.3058863545        1.1047464634
  H        -5.2280377117       -4.0973277960        0.9275379123
  C        -0.1383423736        5.5806301071        1.1044027879
  H         0.7281103778        3.5971686409        0.9228509364
  C        -0.1798169430        4.1487294958        0.9384989833
  H         0.8226091208        6.1273922027        1.2185455885
  C        -1.4541197348        3.5025479073        0.7845925361
  H        -3.5752304563        3.5758972375        0.6550861823
  C        -2.6318882066        4.2266172352        0.7626800258
  H        -3.5218593965        6.2212681945        1.0332557563
  C        -2.5924518786        5.6339889011        1.0062326895
  H         4.5671631705       -0.5378917455        1.2399010335
  B        -1.4489360606        1.9451922140        0.8675919376
  H         2.4140838028        0.8047744168        1.4258363258
  O        -0.2869106320        1.2232726288        0.9517285373
  H         2.3577851048       -4.0966067481        1.2335326438
  B        -0.2592109862       -0.1374899362        1.0460468312
  H         0.1791295634       -2.8440777256        1.0776047628
  C         5.0903589810       -1.3285919860        4.3417772319
  O         2.5131225388        0.1201889103        4.3597074900
  C         5.0560441972        0.0398187566        4.5672587246
  B         1.3310210587        0.9102854489        4.1334946343
  C         6.2506355649        0.7516471601        4.7053014485
  O         1.4761831405        2.2921558183        4.0218873471
  C         7.4795658245        0.0448210635        4.5808627539
  C        -0.0119299988        0.2093403151        4.1558285868
  C        -7.5720372954       -1.3420146271        4.5989605949
  C        -0.0755645875       -1.1021747458        4.4397763092
  C         6.2667736679       -2.0325764968        4.4250827951
  C        -1.2818611911       -1.8167234582        4.5391201345
  B        -6.2585651815       -2.1898874641        4.4249048484
  C        -2.4931263614       -1.1710440996        4.3024974135
  O        -5.0852676741       -1.5304438399        4.2705981554
  C        -2.4026520410        0.1888750906        4.1499256352
  B        -3.8101480273       -2.0134577471        4.2152712649
  C        -1.1847719048        0.9335696145        4.0212690557
  O        -3.7043334475       -3.3510415015        4.4880047659
  H        -1.2075457397        2.0146493763        3.9039679255
  B        -4.8339463769       -4.2039045984        4.4692238250
  H        -3.3218056154        0.7533452464        4.2524944288
  O        -6.1259148743       -3.6324074820        4.6604722952
  H         0.8686336627       -1.7452438395        4.5436237393
  C        -4.7249880059       -5.7487762194        4.4996441391
  H        -1.2102599641       -2.8778394790        4.7969171117
  C        -3.5981272276       -6.5337039515        4.7594852813
  H         4.6378495942        4.6606649431        5.2863200265
  C         3.8015339371        5.1498063506        4.8592425363
  H        -2.5924579283       -6.0706017398        4.9374063734
  C         2.6743633401        4.4566818636        4.3801620451
  H         0.7720152593        4.7286345002        3.4826532220
  C         1.5942487314        5.1965359079        3.9832432408
  H        -6.8510646587       -5.9649964329        3.7247571612
  C        -5.8972073903       -6.4869767254        4.0170465696
  H        -6.6821244245        0.5655768132        4.7373454526
  B         2.5739913092        2.9461704577        4.4570766293
  H         6.2249781014        1.8151523404        4.8721319920
  O         3.5892634585        2.1904097432        4.9852237311
  H        -8.7417086419       -3.1176385876        4.2523200534
  B         3.6683410107        0.8079598655        4.6866125166
  H         4.1431001073       -1.8947210011        4.2406641211
  C         2.8745392592       -1.5566630858        8.1114257467
  O         0.3029064269       -0.0918748333        7.8954005344
  C         2.8292706116       -0.1571736293        7.9231174159
  B        -0.8959501001        0.5160669084        7.6226113388
  C         4.0705448686        0.5916069737        7.7868509874
  O        -0.9461208037        1.8684829104        7.3967168352
  C         5.2706820364       -0.1158591850        7.8765520024
  C        -2.2057628246       -0.2765057306        7.7362957250
  C         5.3613585466       -1.5943149944        8.0122704125
  C        -2.2360594694       -1.6901647929        7.7471839357
  C         4.1243363972       -2.2489297806        8.1040905983
  C        -3.4620319924       -2.3738770417        7.7812727244
  B        -8.4826486771       -2.4483361289        7.8881811095
  C        -4.7151825070       -1.6532423444        7.9004399619
  O        -7.3397458632       -1.7267796212        8.0541732286
  C        -4.6459408362       -0.2587916102        7.8644352150
  B        -6.0849090363       -2.3978976570        7.8812292687
  C        -3.4594796425        0.4264329310        7.7248567688
  O        -6.1555794338       -3.7687724959        7.7681526542
  H        -3.4785577328        1.5428264802        7.8136444986
  B        -7.3672056065       -4.5482624219        7.7420905666
  H        -5.5908779527        0.2933890265        7.8441796107
  O        -8.5207926450       -3.8478622757        7.7641909451
  H        -1.2884073149       -2.1958099922        7.6662500288
  C        -7.3832171211       -6.0448453765        7.5977912233
  H        -3.4801507278       -3.4624454815        7.7938376686
  C         1.3683470396        6.2951027253        7.5833201106
  H         2.2604198290        4.3045864030        7.5574652722
  C         1.3399053232        4.8537386601        7.6216347267
  H        -5.2583898234       -6.2329899531        7.7107235474
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  H        -2.0434242526        4.4480372704        7.8035407238
  C        -1.0938107333        4.9414888089        7.6530481273
  H        -9.5405471944       -6.1528510007        7.8249275334
  C        -1.0399193797        6.3122647857        7.6827598545
  H         6.2578817906        0.4712129829        7.9350801870
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  H         3.8778101205        1.6290607309        7.5597092085
  O         1.3682080426        2.0431974851        7.8035395596
  H         4.1364992813       -3.3689371191        8.0101051817
  B         1.4641893832        0.5948687254        7.8744812211
  H         1.9254854072       -2.0386982696        8.0165952569
  C         4.1530879574       -0.4664130036       -8.9387472954
  O         1.5875357712        1.0344481629       -8.6378427588
  C         4.0986401778        0.9127369652       -8.7540778656
  B         0.3401805654        1.5961810914       -9.0161606262
  C         5.3162204772        1.6704754942       -8.7758804564
  O         0.3690302856        2.9321868004       -9.2920978829
  C         6.5401345257        1.0076553538       -8.8399538422
  C        -0.9642596556        0.7790111827       -9.1113999915
  C         6.6115497919       -0.4211885768       -9.0081908437
  C        -1.0442523268       -0.6578176152       -9.1875208583
  C         5.3721433618       -1.1057918983       -9.1516230618
  C        -2.2252587636       -1.3809999297       -9.1792868321
  B        -7.1819217180       -1.2508109041       -8.9789850532
  C        -3.4466721378       -0.6545764444       -9.1426981633
  O        -5.9399311183       -0.5958297795       -8.9848210908
  C        -3.3600608315        0.7446476384       -9.1157057954
  B        -4.8154225425       -1.4127990489       -9.1399420032
  C        -2.1864537130        1.4725502734       -9.0660265681
  O        -4.9395724111       -2.8084798720       -9.2623167134
  H        -2.1766586500        2.5745555568       -8.9852099142
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  H        -4.2842950020        1.2303742902       -9.1252189528
  O        -7.3817432787       -2.6997061184       -9.1612300414
  H        -0.1674515823       -1.2961222064       -9.0646089063
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  H        -2.2065960052       -2.4065577846       -9.0553881792
  C        -4.9754381698       -5.6639232698       -9.0332315891
  H         3.6568096283        5.6517810515       -8.8735975147
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  H        -4.0621869491       -4.9953195339       -8.9992720577
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  H        -0.6513657112        5.3795545179       -9.1948055537
  C         0.2634208257        6.0100158007       -9.1638445599
  H        -8.3190677993       -5.2589452463       -9.3599157258
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  H         7.4641152305        1.6214663307       -8.8284479801
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  H         5.2384522475        2.7627439790       -8.7294878239
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  H         3.2555470468       -1.0779863529       -8.9350038070
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  O        -1.2851265875       -2.1092079851       -5.7347311885
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  O        -2.3895463772       -0.0479404591       -5.7971120470
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  C        -3.8617955548       -2.2108349759       -5.8696878978
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  X         4.6237608581       -0.7543445469       -2.7002622198
  X        -1.5834480061        1.0039852418       -8.8105120522
  X         5.7009084606       -1.6095401995        4.6893081000
  X        -1.7659617730        4.5631507802       -6.4472385272
  X         5.8727916253        1.2220545931       -8.5262435571
  X        -1.8806227292       -1.3486616378        4.6668906536
  X        -1.7458161073        2.6632350534       -6.1765872890
  X        -0.1084005886        5.8083527071       -2.7201941436
  X         1.9839408614        5.7095559668       -9.3749310108
  X         1.6393359461        5.8710389438        4.3116703898
  X         5.6976744609        0.2583421141        4.8998165251
  X        -2.8608012625       -2.6696893351       -1.8733303119
  X        -1.7186992739       -0.8903786663       -8.8895220069
  X         4.6791071163       -2.6101029240       -2.1886320494
  X         6.0018258395       -0.6229976455       -9.3304327216
  X        -5.7298231680       -3.8243729456       -5.7940558803
  X        -0.9070447017        3.8781402382        1.1544249481
  X         0.1322752632       -5.6303245376        4.6951762288
  X        -5.3445682109        3.3719322947       -5.3322381529
  X         6.4142442692        4.0086560448        9.8355439523
  X         4.3887965412        5.8483678483       -6.5310661318
  X        -1.2771775156       -5.9462771262        1.0580994264
  X         8.8889013704        3.0784130880        5.5981180622
  X         4.7719163878        2.9925121049       -0.7564562154
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.1113139155        3.0436769238        5.3928540652
  C        -4.8273735021        3.6232000780        5.9672067257
  H        10.0416722387        4.7072622629        6.3213680641
  H        -4.5578858417        2.9413940723        6.8688368995
  C         8.6575800589        3.7181761339        4.2275441925
  H         7.6519265060        3.2326914946        3.8318837669
  H         8.3201170718        4.7706927107        4.4837573316
  C        -3.6753339809        3.5649517099        5.0422399833
  H        -3.3860373185        2.5928544547        4.8083860009
  H        -2.8260960946        4.1746856221        5.3247356508
  C        -5.2377811551        3.5947910726        3.2675573172
  H        -5.1295873014        2.4854193334        3.1779708872
  H         9.6456637146        4.0727167979        2.2771517286
  O        -4.0352169202        4.1846307606        3.7092402198
  O         5.9295937964        3.1451239634        2.0777759468
  C         4.6093523344        3.6543144369        1.8963467871
  H         3.9765301923        2.8313582874        2.1147782147
  H         4.4030552916        4.5064300764        2.5641716849
  C         6.2689527525        2.0581437541        1.2355458727
  H         7.3776930454        1.9145377259        1.4030685678
  H         5.6496382495        1.1726033630        1.5261245340
  C         4.3952620000        4.0455293734        0.4058947943
  H         5.1073459413        4.8391653651        0.0912409690
  H         3.3233522148        4.1609113087        0.2069458484
  C         6.0654216314        2.2964453732       -0.2696878924
  H         6.9334556183        2.9295375882       -0.5470112294
  H         6.0428919626        1.3072532012       -0.8262041013
  O         4.7610047420        2.8901070503       -0.4685997366
  O         5.7148803619        4.3663698363        7.1294628876
  C         6.5600897174        3.3064612983        7.6022299697
  H         6.0993808998        2.4209074899        7.9724051871
  H         7.2597436452        3.0744190359        6.7978250116
  C         4.9845262667        4.9519940831        8.2442042528
  H         4.4513779353        5.7960523253        7.8364363030
  H         4.3044526705        4.2094664776        8.6813309562
  C         7.4387512434        3.6994014583        8.7661688615
  H         8.1889307137        4.3608330276        8.3061230244
  H         7.9602878935        2.7895484705        9.1564270634
  C         5.9184228515        5.3640944305        9.3458600661
  H         6.5406775443        6.1792990219        9.0477412065
  H         5.3139353945        5.7528067397       -9.9806260956
  O         6.6345283395        4.2158425906        9.8005741289
  O         4.5909736138        5.9660060535       -6.3076421996
  C         5.8571023285        5.3155690691       -6.3907083215
  H         5.7622646122        4.1977866118       -6.3452033918
  H         6.3672471127        5.4697689427       -7.4027452835
  C         3.9867639043        5.5853349039       -4.9956254151
  H         3.0725109093        6.0713533289       -4.7880949913
  H         3.8939660171        4.4927151635       -5.1982286241
  C         6.7535462100        5.7648586929       -5.3225886591
  H        -0.6226835215       -6.2100930647       -5.3845206820
  H         7.6213974818        5.1587123948       -5.4830054838
  C         4.9858649651        5.9301433387       -3.8763396958
  H        -2.5018507356       -6.0866176976       -3.6888581956
  H         4.6452639317        5.4787084605       -2.9675378804
  O         6.2751297960        5.3745470476       -4.0410571930
  O        -5.5969002652        3.3677938968       -5.1595034290
  C        -5.0923901482        3.3925502252       -3.8574081922
  H        -4.2129690916        2.8187150111       -3.6984608458
  H        -4.8222891983        4.4039731768       -3.5890170874
  C         8.6926868388        2.2012993101       -5.6782134627
  H         8.2952228323        2.5549372385       -6.7149306915
  H        -5.6906249091        1.3861785915       -5.7312575295
  C         8.8556317804        2.9382762092       -2.8890312574
  H         8.0143816421        3.6796421561       -2.8673808618
  H         9.0888082836        2.7610559668       -1.8533608390
  C         7.6128821386        1.8785113706       -4.6710099671
  H         6.7186153166        2.5445114727       -4.7142508936
  H         7.3296436255        0.8508919733       -4.8789500597
  O         8.2094171651        1.6864780447       -3.3277313965
  O         0.2644634879       -5.4111742416        4.8556729309
  C         1.6240011218       -5.4328694722        4.4071235112
  H         1.8778271483       -6.5008077772        4.5328976851
  H         1.6332383150       -4.9851270415        3.3570159402
  C         0.0640031146       -5.8279549054        6.2143297087
  H        -1.0062489896       -5.5622236740        6.5124013341
  H         7.7197163629        6.1490480516        6.2565795636
  C         2.4999220142       -4.6798063443        5.3273843778
  H         2.1712704007       -3.5832486425        5.3586019808
  H         3.5220367868       -4.5113667538        4.9517928251
  C         1.0343742376       -5.1449860325        7.1202080564
  H         0.6481576981       -4.1355737428        7.1057478885
  H         1.0592121091       -5.4419397419        8.1327902380
  O         2.3993284020       -5.2992297384        6.6578395698
  O         1.5742233008       -6.2698852720        0.0572236442
  C         0.5694168128       -6.4656487427        1.0148234362
  H         7.8904897187        5.5125452942        1.1159226088
  H         1.0131783878       -6.1502880518        1.9735847471
  C         1.0649874462       -6.3844072735       -1.2742691590
  H         1.9214983608       -6.2799786294       -1.9733988424
  H         8.3668680221        5.6177702735       -1.3843805934
  C        -0.7117606420       -5.6876327031        0.6494338557
  H        -0.6064788550       -4.5841941323        0.8111460124
  H        -1.5433743485       -6.0698675538        1.2245040462
  C        -0.0729334969       -5.4024191396       -1.5072870461
  H         0.2968844795       -4.3495861746       -1.4075466297
  H        -0.4244824920       -5.4479920391       -2.5167277468
  O        -1.1160288462       -5.8114214673       -0.6803134914
  C         1.1481004132       -2.3304734086        1.0938774839
  O        -1.4647335353       -0.7478236295        0.9282895712
  C         1.0994029182       -0.8994219710        1.1614084179
  B        -2.6389080617       -0.0971419532        1.0524220650
  C         2.3965258644       -0.2404953747        1.2524236226
  O        -2.6751142384        1.2766693797        0.9266282723
  C         3.5632373925       -0.9624340418        1.1785381273
  C        -3.9474898617       -0.8938920695        1.1371297281
  C         3.5656894808       -2.3787940116        1.2235541284
  C        -4.0098078169       -2.3041073396        1.0825902886
  C         2.3842201854       -3.0222758116        1.2697736913
  C        -5.2199272659       -3.0082301813        0.9284571210
  B         4.9119163398       -3.1334816934        1.2439250039
  C        -6.4293314426       -2.2932618519        1.0368078820
  O         6.0457281846       -2.3914581573        1.0679835493
  C        -6.3843688621       -0.8992060555        1.1795747734
  B        -7.8091240813       -3.0091160121        1.0727821455
  C        -5.1993125572       -0.1991553072        1.2700399736
  O        -7.7489680438       -4.4136166164        1.2130991430
  H        -5.1450936255        0.9211542291        1.2692329444
  B        -8.8627544903       -5.1718061107        1.2618176511
  H        -7.3429650502       -0.3928558664        1.2270461723
  O       -10.0576340712       -4.5030539345        1.5367083530
  H        -3.1390894235       -2.9432531511        0.9234689269
  C        -1.3219790671        6.2971393367        1.0967001285
  H        -5.2373357634       -4.1301885087        0.9498472406
  C        -0.1441580596        5.5939593397        1.0948066403
  H         0.7692056269        3.6723517330        0.9266204735
  C        -0.1995513795        4.1569926834        0.9217334426
  H         0.8005930374        6.1159913430        1.2530530345
  C        -1.4662683973        3.5190228370        0.7825958399
  H        -3.5481070329        3.6591282475        0.6548363255
  C        -2.6239993297        4.2198835637        0.7725058207
  H        -3.5052541456        6.2294617237        1.0818246118
  C        -2.5963680090        5.6289940294        1.0120796924
  H         4.5729189628       -0.5470230284        1.2187390896
  B        -1.4437234827        1.9457960737        0.8492700805
  H         2.3885015019        0.8485241581        1.4086044887
  O        -0.2827659766        1.2314807993        0.9517464980
  H         2.3272421163       -4.1177302873        1.2246920004
  B        -0.2535338150       -0.1432723628        1.0357947634
  H         0.2618616402       -2.8362822443        1.0132404537
  C         5.0879257549       -1.3125268881        4.3651718384
  O         2.5021073282        0.1292944972        4.3504685327
  C         5.0595443736        0.0500578427        4.5717628362
  B         1.3165446341        0.8886639900        4.1345495785
  C         6.2677722860        0.7357055871        4.6947816869
  O         1.4730601378        2.2968342583        4.0311008241
  C         7.4663295783        0.0390887572        4.5730107334
  C        -0.0162500596        0.2115374143        4.1566806398
  C        -7.5704071430       -1.3523622328        4.5929263556
  C        -0.0482432186       -1.1144738997        4.4368214569
  C         6.2906970144       -2.0318959660        4.4131022704
  C        -1.2874547054       -1.8285747232        4.5302002615
  B        -6.2657796256       -2.2181747751        4.4533806177
  C        -2.5131397724       -1.1669323189        4.2843724691
  O        -5.0883859059       -1.5236094588        4.2757338606
  C        -2.4029221604        0.1970594120        4.1358056398
  B        -3.8165925409       -2.0145506808        4.2159717963
  C        -1.1698831002        0.9504406796        4.0336090231
  O        -3.7100778386       -3.3356000643        4.4912686146
  H        -1.2548538205        2.0465345532        3.9214257783
  B        -4.8303837324       -4.1988527502        4.4617861462
  H        -3.3283660113        0.8022742624        4.2562066039
  O        -6.1287760836       -3.6321194221        4.6454422989
  H         0.8102720505       -1.7983890531        4.5000102165
  C        -4.7161466595       -5.7401416425        4.4791137638
  H        -1.2103135176       -2.8604336051        4.7823078153
  C        -3.6059899667       -6.5335670343        4.7774516343
  H         4.6665919509        4.7275920020        5.3342448606
  C         3.8128725833        5.1520400234        4.8562497289
  H        -2.6095927417       -6.0972532585        4.9218273156
  C         2.6635745285        4.4581092888        4.3878372454
  H         0.7614837349        4.7717925008        3.4629134848
  C         1.5958149528        5.2023335870        3.9828603983
  H        -6.8655533956       -5.9212900600        3.7758241056
  C        -5.9086926767       -6.4869777899        4.0160901654
  H        -6.6966335062        0.5523105231        4.6557056602
  B         2.5615934506        2.9359516255        4.4460856276
  H         6.2380613862        1.7794526914        4.9036573140
  O         3.5755867706        2.1830629586        5.0045608354
  H        -8.7364036119       -3.1249470712        4.2582518851
  B         3.6739118335        0.8057769686        4.6746536870
  H         4.1713378096       -1.8606694052        4.2414094790
  C         2.8915438065       -1.5531875905        8.1165760378
  O         0.3069012441       -0.0969867616        7.8907849592
  C         2.8347342003       -0.1432001639        7.9209636227
  B        -0.9142489131        0.4969628225        7.6387405536
  C         4.0654467761        0.5876605010        7.7979038350
  O        -0.9396100157        1.8600753396        7.4088990971
  C         5.2780127152       -0.1193375212        7.8615409824
  C        -2.2165907886       -0.2608123209        7.7375777300
  C         5.3587148076       -1.5852742895        8.0083866943
  C        -2.2258593185       -1.6973165337        7.7479911892
  C         4.1239293949       -2.2447149326        8.1053689247
  C        -3.4759546851       -2.3489801265        7.7582734598
  B        -8.4696713169       -2.4349835307        7.9038913760
  C        -4.6979503573       -1.6696693321        7.9059932986
  O        -7.3529054776       -1.7290290350        8.0730400909
  C        -4.6587682887       -0.2640655610        7.8592884137
  B        -6.0668627661       -2.3861784977        7.8834767510
  C        -3.4664793509        0.4270206528        7.7241916258
  O        -6.1533875673       -3.7628514629        7.7639044804
  H        -3.4718062484        1.5373640428        7.7967014104
  B        -7.3714300090       -4.5276221707        7.7446612418
  H        -5.5803909388        0.2810144489        7.8467057178
  O        -8.5213494540       -3.8418824445        7.7691249932
  H        -1.2540070667       -2.1853069127        7.6021284851
  C        -7.3925651448       -6.0663365160        7.5978118452
  H        -3.5379005331       -3.4686902543        7.7658965345
  C         1.3650921676        6.2903838048        7.5629117372
  H         2.2299893200        4.2255662842        7.5085505217
  C         1.3353208595        4.8679229390        7.6355072485
  H        -5.3070029601       -6.2107570380        7.6815678862
  C         0.0873983744        4.1653702114        7.5323346421
  H        -2.0875362458        4.4939027729        7.8047557242
  C        -1.0787961766        4.9356761928        7.6386030553
  H        -9.5103365590       -6.1391101767        7.8750723376
  C        -1.0342194444        6.3265306791        7.6685200476
  H         6.2743669923        0.4188615001        7.9628346990
  B         0.1603890188        2.6609394750        7.5491580693
  H         3.9079774554        1.6356200737        7.5287191056
  O         1.3885928091        2.0323848454        7.7937008683
  H         4.1154243976       -3.3370146778        8.0103987141
  B         1.4553417928        0.5951615597        7.8696100973
  H         1.8740568249       -2.0407105859        8.0429069283
  C         4.1638163539       -0.4682153156       -8.9292244627
  O         1.5934574139        1.0270347913       -8.6398731356
  C         4.1054776572        0.8942801824       -8.7443832786
  B         0.3612216051        1.5955789258       -9.0148196797
  C         5.3125355251        1.6484544666       -8.7945498766
  O         0.3728092939        2.9308321490       -9.2915812700
  C         6.5502788072        1.0048888788       -8.8335438233
  C        -0.9515795890        0.8102141035       -9.1029170596
  C         6.6073260347       -0.4225678291       -8.9861082937
  C        -1.0471570815       -0.6421243799       -9.2018765974
  C         5.3681287024       -1.0988417144       -9.1428346952
  C        -2.2243058081       -1.3638080319       -9.1997693743
  B        -7.1679294539       -1.2573132981       -8.9856646935
  C        -3.4689575014       -0.6623284146       -9.1314303971
  O        -5.9406330216       -0.6155854683       -8.9804323617
  C        -3.3502150961        0.7263741481       -9.1053919461
  B        -4.8142614490       -1.3994655200       -9.1292132469
  C        -2.1946824949        1.5013816283       -9.0481724782
  O        -4.9363628840       -2.8061676623       -9.2648607356
  H        -2.2056132367        2.5491765913       -8.9683988417
  B        -6.2013231439       -3.3730587621       -9.2947856597
  H        -4.2951223603        1.2003187498       -9.1322793133
  O        -7.3702151567       -2.6860963959       -9.1418654638
  H        -0.1454229522       -1.3011214866       -9.0892680036
  C        -6.1739855925       -4.9714335312       -9.2139368396
  H        -2.2374547133       -2.4819154845       -9.0622817627
  C        -4.9796862203       -5.6779619181       -9.0296363254
  H         3.6591038461        5.6312392652       -8.8931196182
  C         2.6334554714        6.0040568525       -9.0062979573
  H        -4.0316751312       -5.0840754172       -8.9797257827
  C         1.4516541536        5.2824564791       -9.1647599513
  H        -0.6666036333        5.4302453168       -9.2269353334
  C         0.2571169203        6.0093731690       -9.1535188474
  H        -8.3706697686       -5.2535167789       -9.3720933555
  C        -7.3704417763       -5.7564045231       -9.2191806766
  H         7.4489326730        1.6114372747       -8.7759997652
  B         1.5166674741        3.7039091221       -9.1438068206
  H         5.3394647809        2.7824277443       -8.7580652911
  O         2.7171138980        3.0670687171       -8.9675876883
  H         5.3667355448       -2.1686710215       -9.3777399218
  B         2.7558479786        1.7020772564       -8.7699140846
  H         3.2670858924       -1.1110274959       -8.9689603772
  C         1.3124629209       -3.5400372202       -5.7292462142
  O        -1.2805435083       -2.1070206018       -5.7408842495
  C         1.2996599494       -2.1332538939       -5.7128944901
  B        -2.4573462899       -1.4285563953       -5.8318559769
  C         2.4615798135       -1.4504369696       -5.8340272069
  O        -2.4113948666       -0.0366502772       -5.8107242624
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  X         4.7611954087        3.0065194835       -0.7474158983
  X        -7.1975963015       -6.4146281214       -9.4605401829
  X         2.9136754468       -0.6736184147        0.9157131381
  X        -0.7010875897        2.6755375733       -6.0675355214
  X         2.0037912856        5.7125220132       -9.3799576955
  X        -1.8984344077       -1.3456443882        4.6533515087
  X         5.8753023321        1.2022842985       -8.5365731473
  X         4.6279267577       -2.7423539532       -2.7361805489
  X        -1.6783160181       -0.9130571245       -9.4872017075
  X         0.9847239854        3.9626171809       -2.6763062842
  X        -0.1147563388       -0.4635954315        4.0081363337
  X        -2.3175905980        3.5987990412       -6.3863364755
  X        -2.8586684976       -2.6616401585       -2.4593728035
  X         0.6230497813        4.5844573670        7.8716948273
  X         1.8558866245        5.9003818939        3.7811025978
  X         4.5922478135        0.1917480024        8.1271043988
  X         4.5992943639       -0.9511370161       -3.2438009032
  X         5.9545930630       -0.7060338401       -8.7668297024
  X        -4.5957316645       -3.8308243304       -5.7715906017
  X        -1.8747272152        5.9254083614        0.7708486441
  X         2.0666730126       -5.0466891116        4.8573591055
  X         6.2306886321        5.0739734530       -4.0691825944
  X         0.1752537730       -4.6985961580       -1.4111898566
  X         6.4233469843        4.0070349919        9.8227518193
  X        -5.4217370198        3.3175529875       -4.6461605948
  X         8.0306417495        3.3822331035        3.9703596818
  X         6.1165063779        3.3695180141        1.9926583978
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.1090841821        3.0330324846        5.4046519335
  C        -4.8307669851        3.6175384550        5.9681261967
  H        10.0184787715        4.6675725933        6.2849176566
  H        -4.5746891371        3.0418762434        6.8153818533
  C         8.6632102994        3.7157098339        4.2390955323
  H         7.7243598008        3.1985966255        3.8868368357
  H         8.2992344099        4.7446120313        4.4987015286
  C        -3.6767315896        3.5657285267        5.0486784731
  H        -3.3741194811        2.5170126744        4.8215878651
  H        -2.8023860884        4.2260145187        5.3163470786
  C        -5.2296232193        3.5915105093        3.2788133516
  H        -5.0972478863        2.4589716804        3.1780057128
  H         9.5978777739        4.0865048716        2.2996464434
  O        -4.0327212333        4.1900108682        3.7150106652
  O         5.9123670841        3.1312805600        2.0815440804
  C         4.6067048835        3.6533826989        1.8787864311
  H         3.9869013998        2.7895499464        2.1327325289
  H         4.4283479186        4.5491613364        2.5434048960
  C         6.2803931387        2.0444484029        1.2314981061
  H         7.3854572738        1.9046458641        1.4502624332
  H         5.6928913183        1.1582395772        1.4859909307
  C         4.4006398439        4.0356939932        0.4188011109
  H         5.0807193189        4.7983313257        0.0861321015
  H         3.2921330165        4.1581993328        0.2345141758
  C         6.0510130068        2.3069714557       -0.2694625281
  H         6.9272629868        2.9510704494       -0.5033326560
  H         6.1025267647        1.3346907554       -0.7659810161
  O         4.7475993462        2.9026086626       -0.4610284394
  O         5.7133531787        4.3534425234        7.1364508388
  C         6.5759006006        3.3267993745        7.6013555679
  H         6.0350370170        2.4038568552        7.9484337684
  H         7.2882024087        3.1110652239        6.8085028020
  C         4.9834812890        4.9494310651        8.2393398226
  H         4.5180289015        5.8084140681        7.8356029881
  H         4.3122108552        4.2155170204        8.6697546858
  C         7.4392617501        3.7132938372        8.7604006792
  H         8.1336422957        4.3639726972        8.2931842336
  H         7.9875523068        2.8739885893        9.1641800677
  C         5.9233578395        5.3464616428        9.3631597731
  H         6.5918824596        6.2523735807        9.0345260090
  H         5.3007184380        5.7276111516       -9.9636814765
  O         6.6467913437        4.2149865217        9.7947801885
  O         4.6076657946        5.9595446329       -6.2958749314
  C         5.8775211063        5.3080022986       -6.3811924320
  H         5.7488696704        4.1859651043       -6.3149640918
  H         6.2904186570        5.4855939372       -7.3897571043
  C         4.0040957832        5.5685729334       -4.9831049026
  H         3.0704454717        6.1154754865       -4.7339053250
  H         3.9188083529        4.4704178934       -5.1558927128
  C         6.7504539363        5.7651001144       -5.3100712660
  H        -0.6633546596       -6.2211859700       -5.3977911216
  H         7.6460020064        5.1336721403       -5.3950711313
  C         4.9755888287        5.9281594480       -3.8637258959
  H        -2.4262831335       -6.0601362379       -3.7063494550
  H         4.6356110818        5.5062443441       -2.9413628029
  O         6.2807970050        5.3758215456       -4.0416058032
  O        -5.6028775124        3.3679751779       -5.1661478457
  C        -5.0992388490        3.3808600615       -3.8619974884
  H        -4.2013682066        2.8113135703       -3.6679260831
  H        -4.8106791291        4.4209813341       -3.5967729665
  C         8.6872272478        2.2228012953       -5.6762470903
  H         8.3482285006        2.5195806279       -6.6920960917
  H        -5.7166510402        1.3320111387       -5.7251289968
  C         8.8283750666        2.9192268301       -2.8708832747
  H         8.0364035564        3.6978672799       -2.8422640288
  H        -5.9906713696        2.6941950116       -1.8557276165
  C         7.6095843819        1.8551619566       -4.6600107265
  H         6.7465187968        2.5009189265       -4.7040771063
  H         7.3183612460        0.8493303064       -4.9119235570
  O         8.2008153546        1.6948839518       -3.3224752319
  O         0.2573012055       -5.4033111600        4.8560199484
  C         1.5948021073       -5.4364426709        4.4041247531
  H         1.9121046818       -6.4680773215        4.4806074524
  H         1.6581066820       -5.0795200326        3.4135580691
  C         0.0632204919       -5.8421307211        6.2247483236
  H        -1.0024162718       -5.4972619794        6.5390022606
  H         7.7010703690        6.1577608615        6.2731318478
  C         2.5127794920       -4.6632972974        5.3560167519
  H         2.1521026996       -3.6665512430        5.3970468184
  H         3.5046903425       -4.5845973589        5.0242237290
  C         1.0414641228       -5.1444319247        7.1130986253
  H         0.7018032024       -4.1099744580        7.1263486110
  H         1.0984225862       -5.5108642319        8.1470279201
  O         2.4216033103       -5.2852335904        6.6455088897
  O         1.5967697709       -6.2734847175        0.0406576384
  C         0.5727156055       -6.4734918908        1.0127520649
  H         7.8998227929        5.4601513405        1.1144938457
  H         1.0026070610       -6.1452089540        2.0587671535
  C         1.0815146363       -6.3736389646       -1.2769821498
  H         1.9220095835       -6.2356359733       -1.9373567879
  H         8.2768052976        5.6372445104       -1.4550794505
  C        -0.7306680208       -5.6995962150        0.6462089293
  H        -0.5501381047       -4.6311689522        0.8859698869
  H        -1.5174546744       -6.0542841286        1.2458238561
  C        -0.0741321843       -5.4131381674       -1.5119548037
  H         0.2569129857       -4.3383059912       -1.3304558353
  H        -0.4459513778       -5.3899038857       -2.5188996201
  O        -1.1202991040       -5.7932351528       -0.6830577309
  C         1.1511376915       -2.3295405134        1.0948441607
  O        -1.4599058039       -0.7512304619        0.8986257624
  C         1.0945627676       -0.9015183879        1.1544703984
  B        -2.6450316950       -0.0924639635        1.0429072449
  C         2.3660862722       -0.2350848201        1.2509729241
  O        -2.6772652135        1.2829749031        0.9307968392
  C         3.5511886469       -0.9707863703        1.1626574536
  C        -3.9424098447       -0.8985378475        1.1304296701
  C         3.5604950807       -2.3787589062        1.2275888707
  C        -3.9941565756       -2.2918372418        1.0826275156
  C         2.3722254632       -3.0294410548        1.2716782454
  C        -5.2253597939       -3.0170691033        0.9198622635
  B         4.9139558890       -3.1503818063        1.2420132244
  C        -6.4230163269       -2.2738094405        1.0326353173
  O         6.0346405948       -2.3889352753        1.0531174110
  C        -6.3822624205       -0.8943124935        1.1792462808
  B        -7.7837134525       -3.0038878913        1.0609906345
  C        -5.1962482014       -0.1950210680        1.2797419585
  O        -7.7346896159       -4.4168619602        1.2216361343
  H        -5.1771469672        0.8898676390        1.3013977271
  B        -8.8589470604       -5.1893837113        1.2747617376
  H        -7.3946068513       -0.4571523614        1.2130367196
  O       -10.0608516982       -4.4904691601        1.5534622343
  H        -3.0845125158       -2.8874980430        0.9004971845
  C        -1.3258845737        6.2963311000        1.0895654061
  H        -5.2476337161       -4.1114976389        0.9522340418
  C        -0.1485822205        5.5927661348        1.0833789708
  H         0.8032577799        3.7068031343        0.9342460036
  C        -0.2216055498        4.1769936360        0.9061728199
  H         0.7802712236        6.0965434500        1.2713040289
  C        -1.4622768240        3.5274518802        0.7805154340
  H        -3.5417102157        3.7535772088        0.6599231256
  C        -2.6231041428        4.2264771958        0.7868374276
  H        -3.4917575537        6.2328463669        1.1282994235
  C        -2.5951228558        5.6209401623        1.0132421645
  H         4.5621516550       -0.5195853511        1.1859739401
  B        -1.4438527972        1.9487785200        0.8293480166
  H         2.3771055186        0.8825709357        1.3770670704
  O        -0.2766045927        1.2420585865        0.9509850888
  H         2.3051767091       -4.1364232881        1.2230729118
  B        -0.2445937692       -0.1453059351        1.0250890908
  H         0.2387753874       -2.8904241328        0.9365778580
  C         5.0874550780       -1.3039642619        4.3889729980
  O         2.4896044621        0.1420629970        4.3392613698
  C         5.0580997323        0.0672279944        4.5792437304
  B         1.3169339757        0.8716786300        4.1376064109
  C         6.2853176269        0.7178266829        4.6836888088
  O         1.4592747162        2.2956841387        4.0369942682
  C         7.4554479673        0.0359195054        4.5718399632
  C        -0.0156771700        0.2216897409        4.1561435509
  C        -7.5748976487       -1.3706599046        4.5796320923
  C        -0.0297926045       -1.1456926097        4.4349945891
  C         6.3164469406       -2.0306065500        4.4002527986
  C        -1.2871806034       -1.8338618047        4.5173436067
  B        -6.2684573442       -2.2492053828        4.4848148756
  C        -2.5270281398       -1.1677003909        4.2656377632
  O        -5.0923432232       -1.5107957942        4.2775715800
  C        -2.4034244391        0.2184993007        4.1215127353
  B        -3.8245860039       -2.0139701440        4.2249379044
  C        -1.1723665764        0.9619618807        4.0475429314
  O        -3.7159345761       -3.3295040891        4.4921128431
  H        -1.2732777703        2.0533896437        3.9437523660
  B        -4.8289921695       -4.1864910041        4.4603804559
  H        -3.3268145925        0.8311588733        4.2215134691
  O        -6.1306347564       -3.6280659808        4.6276465378
  H         0.7648047011       -1.8079754855        4.4648258758
  C        -4.7197791418       -5.7374702199        4.4512497096
  H        -1.2247493043       -2.8883767497        4.7658075631
  C        -3.6143331708       -6.5344391014        4.7940963172
  H         4.7185837113        4.7238518621        5.3758184254
  C         3.8215615514        5.1574877500        4.8515705784
  H        -2.6346242434       -6.1177494487        4.9248692322
  C         2.6604235564        4.4600140716        4.4022708843
  H         0.7186665191        4.7857770907        3.4543571414
  C         1.5957553520        5.2144459827        3.9757844232
  H        -6.8152120828       -5.9053678679        3.8361233227
  C        -5.9186150813       -6.4789139914        4.0213405848
  H        -6.6811060434        0.5669810819        4.5754825558
  B         2.5566464101        2.9261234219        4.4396455208
  H         6.2594030328        1.7894789440        4.9317698039
  O         3.5678546617        2.1721006142        5.0233350156
  H        -8.7625010697       -3.1141935266        4.2741616374
  B         3.6803292808        0.8076264117        4.6625119106
  H         4.1695406470       -1.8327589520        4.2333481605
  C         2.9072749936       -1.5488553626        8.1193005156
  O         0.3085639161       -0.1068748152        7.8849017766
  C         2.8434417642       -0.1303545604        7.9199563828
  B        -0.9300479255        0.4839308401        7.6574044943
  C         4.0571376187        0.5781970480        7.8095049188
  O        -0.9360171996        1.8510755322        7.4187209411
  C         5.2923655655       -0.1258349948        7.8521172137
  C        -2.2356862055       -0.2516172024        7.7367112793
  C         5.3468818901       -1.5663891076        8.0011377643
  C        -2.2209402363       -1.6986959822        7.7467117001
  C         4.1190663227       -2.2390805644        8.1041615965
  C        -3.4862934621       -2.3323615248        7.7386855874
  B        -8.4644890146       -2.4235600013        7.9217269381
  C        -4.6801228306       -1.6838349043        7.9074508903
  O        -7.3519506984       -1.7292770849        8.0902020207
  C        -4.6708914157       -0.2686424217        7.8525960763
  B        -6.0593013474       -2.3779601414        7.8874019020
  C        -3.4686788496        0.4297670946        7.7280574271
  O        -6.1507605445       -3.7602921037        7.7594186681
  H        -3.4576135258        1.5010823308        7.7608811065
  B        -7.3647411105       -4.5042576834        7.7447912095
  H        -5.6057411350        0.2815340050        7.8618645525
  O        -8.5263635720       -3.8293417156        7.7753482138
  H        -1.2399049034       -2.1886725424        7.5511376950
  C        -7.3960339868       -6.0858523096        7.5983548509
  H        -3.5825545138       -3.4344391506        7.7366781042
  C         1.3575407781        6.2758625491        7.5459272748
  H         2.1908753813        4.1862694586        7.4839665953
  C         1.3287256824        4.8835794774        7.6416433710
  H        -5.2910382436       -6.1727840656        7.6421190535
  C         0.1008889863        4.1684060671        7.5303603149
  H        -2.0980610142        4.5323113835        7.7875971982
  C        -1.0697779357        4.9298623953        7.6229195918
  H        -9.4509197483       -6.1646926468        7.9061782124
  C        -1.0373848089        6.3421202198        7.6555693877
  H         6.2262565022        0.3413072684        7.9593475603
  B         0.1516957692        2.6457904243        7.5554685237
  H         3.9831965590        1.6481420507        7.5198898962
  O         1.4100544435        2.0171792322        7.7838669049
  H         4.0861818365       -3.3041375102        8.0321424770
  B         1.4529677310        0.6065159362        7.8631041063
  H         1.8898060198       -2.0474466676        8.0968439900
  C         4.1716836337       -0.4758636000       -8.9217424087
  O         1.5938578873        1.0152843314       -8.6439388096
  C         4.1115376499        0.8880396780       -8.7371336760
  B         0.3891417620        1.5938788196       -9.0114022150
  C         5.3094122381        1.6305623774       -8.8103776579
  O         0.3755666410        2.9337399380       -9.2920931912
  C         6.5579031051        0.9962297275       -8.8267904494
  C        -0.9456283876        0.8315842073       -9.0958734438
  C         6.6033226929       -0.4204649200       -8.9643561691
  C        -1.0431313538       -0.6261623781       -9.2119604412
  C         5.3692526713       -1.0950356837       -9.1288118699
  C        -2.2309481438       -1.3469719712       -9.2154113125
  B        -7.1638347239       -1.2641026878       -8.9958277051
  C        -3.4796647773       -0.6751121413       -9.1218155908
  O        -5.9434522467       -0.6371184694       -8.9753399370
  C        -3.3439781321        0.7119119088       -9.0938705624
  B        -4.8130919514       -1.3891895705       -9.1205130161
  C        -2.2001422644        1.5176058868       -9.0331976702
  O        -4.9335653985       -2.7970527779       -9.2688682107
  H        -2.2468604906        2.5856696855       -8.9444321045
  B        -6.2056694558       -3.3825501920       -9.2968800250
  H        -4.3657794743        1.2277705745       -9.1382949768
  O        -7.3562570465       -2.6646076687       -9.1225979823
  H        -0.1368775680       -1.2553992670       -9.1397425653
  C        -6.1733248087       -4.9640945150       -9.2012636434
  H        -2.2551164249       -2.5119606223       -9.0994992720
  C        -4.9803382574       -5.6877226765       -9.0266429266
  H         3.6340203355        5.5740566804       -8.9178086821
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  H        -4.0328676194       -5.1965846474       -8.9612822008
  C         1.4720019037        5.2776647724       -9.1795154031
  H        -0.6829577702        5.4699606463       -9.2579632782
  C         0.2439570639        5.9900727420       -9.1467232228
  H        -8.3697415608       -5.2612171702       -9.3611091379
  C        -7.3730631492       -5.7561158149       -9.2255558908
  H         7.4499700286        1.5987155146       -8.7249355366
  B         1.5257225025        3.7131949347       -9.1503643674
  H         5.4223442855        2.7392904778       -8.7935331927
  O         2.7202279933        3.0655809449       -8.9627731571
  H         5.3872001841       -2.1713657382       -9.3254794349
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  H         3.2800294524       -1.1205865804       -9.0019407962
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  O        -1.2699409625       -2.1051202348       -5.7475014987
  C         1.3028490375       -2.1450937878       -5.7243223981
  B        -2.4580872682       -1.4413118076       -5.8518297969
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  X        -4.5796734024       -3.8326725406       -5.7720788532
  X        -2.3515303325       -1.6736520006       -2.4766451539
  X         4.5661971314        2.6755836830       -0.3740819560
  X         1.8978320171        1.2754437583       -8.5309217767
  X         1.7592431271       -0.6616115643        0.9188349415
  X         6.5058869016        0.3105470749       -9.1696892131
  X         5.1426990818       -0.6444277731        4.7627053058
  X         0.9380876672        3.8852201620       -2.1154236391
  X        -0.7462657154        4.7010097465       -5.8202193730
  X         4.6332325836       -2.7406829116       -2.7329118972
  X        -3.9226414187       -0.8083010578       -2.5577235572
  X        -0.8599292911        5.6411774899        7.9114140673
  X         3.6651234038        5.8984932594        5.0377898900
  X         1.8806595668       -2.5614079252        0.9089989141
  X        -3.3023255069       -0.0130808675       -8.8279543356
  X         3.5686121253       -1.7721990984        7.8096127357
  X        -4.4978218951       -1.9680518911       -5.5115692754
  X        -0.8785249281        3.9448216896        0.5779745897
  X         4.5812593258       -0.9551697137       -3.2374590331
  X         4.8606957897       -0.7156965055       -8.7233129140
  X         2.4339276756       -5.0375409753        6.1461553758
  X        -0.0742120465       -6.0906659204        0.8177728070
  X         6.3061003652        5.5445634292       -5.8433213236
  X         4.5287097121        4.4606739908        8.5238409065
  X        -4.5101458833        3.9417941915        3.5752878301
  X         9.2986284179        3.5971198166       -5.1527519773
  X         6.1036464884        3.3545679109        2.0021514201
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.1030769393        3.0196896517        5.4183338720
  C        -4.8368557843        3.6176352719        5.9682308516
  H        10.0170838668        4.6077087840        6.2451861332
  H        -4.5867600327        3.0987181618        6.8356117470
  C         8.6704419507        3.7138176641        4.2481365881
  H         7.8464354732        3.1641509716        3.9367470667
  H         8.3129169830        4.7052107103        4.5038941968
  C        -3.6730076342        3.5757694843        5.0421590611
  H        -3.3567303607        2.4623086370        4.8536371846
  H        -2.8095668830        4.2270937351        5.3305316232
  C        -5.2289061321        3.5895226406        3.2809439792
  H        -5.0641169165        2.4879732929        3.1523408274
  H         9.5727562298        4.0665352279        2.3479361282
  O        -4.0318403215        4.1936126222        3.7256753721
  O         5.8982637380        3.1190453037        2.0866231514
  C         4.6048600391        3.6522532098        1.8596465588
  H         3.9365573925        2.7566850669        2.1606891865
  H         4.4717268903        4.5378526271        2.5020368314
  C         6.2919628783        2.0297702695        1.2283978304
  H         7.3360229551        1.8823548404        1.4851344963
  H         5.7281479792        1.1235636502        1.4804998352
  C         4.4052767376        4.0160566282        0.4319117086
  H         5.0486163533        4.8286658134        0.0808363823
  H         3.3189396238        4.1812653863        0.2511192711
  C         6.0380015641        2.3229338976       -0.2600823970
  H         6.8883561914        2.9840181897       -0.5131648567
  H         6.1553978882        1.3699966317       -0.7334499084
  O         4.7320533011        2.9121057784       -0.4534885720
  O         5.7115803971        4.3415488864        7.1448457454
  C         6.5915200389        3.3388825350        7.6005574693
  H         5.9608154981        2.4117969750        7.8910200529
  H         7.3064548602        3.1201449182        6.7860929906
  C         4.9888995431        4.9427949013        8.2353901274
  H         4.5371560558        5.8656317739        7.8073407020
  H         4.2825654266        4.2045657213        8.6513994599
  C         7.4347879386        3.7258179179        8.7534235518
  H         8.1417753226        4.4610191956        8.3093864330
  H         8.0274150271        2.9261334057        9.1742485274
  C         5.9284241849        5.3359419192        9.3778720637
  H         6.6186767977        6.2516615680        9.0426381911
  H         5.3130119438        5.6904893789       -9.9589073391
  O         6.6621825387        4.2181146304        9.7941291718
  O         4.6198248262        5.9547873132       -6.2814990863
  C         5.8904547015        5.2962134641       -6.3778435435
  H         5.7342040617        4.2024956283       -6.2812891836
  H         6.2069428977        5.5141928963       -7.3749940388
  C         4.0275455228        5.5525321525       -4.9756833214
  H         3.0707907790        6.1391133812       -4.7299003665
  H         3.9134297457        4.4647970224       -5.0622581673
  C         6.7578125458        5.7617631548       -5.2954408407
  H        -0.6842301164       -6.2283860074       -5.4005350654
  H         7.7127504794        5.1499645020       -5.3164076017
  C         4.9675812174        5.9263027132       -3.8518602846
  H        -2.3848720400       -6.0320951091       -3.7408060211
  H         4.6012216959        5.5176590355       -2.8704024396
  O         6.2849231942        5.3770870376       -4.0410308361
  O         9.4897495331        3.3702356468       -5.1782384581
  C        -5.1145505479        3.3677611317       -3.8546925274
  H        -4.1627804322        2.7515671406       -3.6636546570
  H        -4.8131160346        4.4326542067       -3.6265529725
  C         8.6896166765        2.2447938454       -5.6666642741
  H         8.4006133701        2.4855691368       -6.6434588064
  H        -5.7681423824        1.3179726426       -5.7373953567
  C         8.8008392393        2.9019019098       -2.8570421769
  H         8.0688945278        3.7175310725       -2.8244966279
  H        -5.9390029111        2.6291270957       -1.8269400011
  C         7.6126746592        1.8285313126       -4.6477788799
  H         6.7538153299        2.4872298732       -4.6666039189
  H         7.2774684158        0.8157790042       -4.9549035157
  O         8.1931042822        1.7051473483       -3.3197598475
  O         0.2446738927       -5.3923724427        4.8565532307
  C         1.5693103322       -5.4425397278        4.4118275465
  H         1.9739446126       -6.4732749903        4.4001967963
  H         1.6712581282       -5.1421321296        3.4037007394
  C         0.0586351566       -5.8521357447        6.2340828487
  H        -0.9218614172       -5.4737306477        6.5321492752
  H         7.6779440811        6.1301891083        6.2962479239
  C         2.5160647017       -4.6518202823        5.3812062761
  H         2.1016660619       -3.6718446565        5.4543203392
  H         3.5742953950       -4.6839409235        5.0822176691
  C         1.0527021668       -5.1441516919        7.1078931782
  H         0.7809134803       -4.0401860246        7.1532697579
  H         1.1120335988       -5.5902824124        8.1662483025
  O         2.4413952997       -5.2686377846        6.6332289500
  O         1.6196555328       -6.2762755106        0.0260173362
  C         0.5741301947       -6.4864935418        1.0155387129
  H         7.9266650208        5.4838928107        1.1020327430
  H         0.9468447300       -6.1661800171        2.0341751308
  C         1.0965410972       -6.3681990554       -1.2818385516
  H         1.9492245059       -6.1648507560       -1.9246211506
  H         8.1879812363        5.6949445795       -1.5253249330
  C        -0.7406371635       -5.7079013320        0.6486211175
  H        -0.5048141970       -4.6861739807        0.9626644753
  H        -1.5592250964       -6.0670028903        1.3171307112
  C        -0.0690787047       -5.4197719283       -1.5167500548
  H         0.2146688808       -4.3713039703       -1.2375045604
  H        -0.4707264718       -5.3605218302       -2.5647581820
  O        -1.1292859472       -5.7765926361       -0.6856469818
  C         1.1565065589       -2.3245042175        1.0994262287
  O        -1.4550840123       -0.7593942539        0.8701348628
  C         1.0947853902       -0.9074075280        1.1470859904
  B        -2.6521355710       -0.0862068834        1.0298340737
  C         2.3333811321       -0.2275107317        1.2472394840
  O        -2.6775667682        1.2911167498        0.9345130021
  C         3.5431132004       -0.9765482293        1.1499220565
  C        -3.9451022098       -0.9023143437        1.1280959568
  C         3.5616497914       -2.3752378133        1.2313371848
  C        -3.9805135062       -2.2892489966        1.0752959563
  C         2.3466876839       -3.0419793027        1.2697411162
  C        -5.2278449901       -3.0192776149        0.9179318276
  B         4.9154635845       -3.1667488873        1.2428644683
  C        -6.4141629130       -2.2617888132        1.0259681943
  O         6.0325283733       -2.3855424946        1.0361783675
  C        -6.3850519080       -0.8858357803        1.1801512243
  B        -7.7640840457       -3.0045301686        1.0523072163
  C        -5.1885928349       -0.1935397044        1.2856680790
  O        -7.7169497287       -4.4190371510        1.2270980255
  H        -5.2133095279        0.8706760702        1.3420531177
  B        -8.8633942585       -5.2085630966        1.2910307481
  H        -7.4147280616       -0.4946171281        1.2115192703
  O       -10.0641723307       -4.4797494279        1.5687404423
  H        -3.0242490779       -2.8085520099        0.8980172076
  C        -1.3391522978        6.3034902984        1.0838528196
  H        -5.2542957260       -4.0839028082        0.9296837253
  C        -0.1547549186        5.5798147955        1.0696003648
  H         0.7656549118        3.7196811994        0.9402303645
  C        -0.2358590881        4.2042818607        0.8940257425
  H         0.7900887300        6.0840539753        1.2759648583
  C        -1.4436696570        3.5234136620        0.7780199497
  H        -3.6097901892        3.7989553158        0.6656518732
  C        -2.6222869760        4.2476047899        0.8043368658
  H        -3.4866562580        6.2249780387        1.1614867116
  C        -2.5885640763        5.6136841569        1.0119247634
  H         4.5197645277       -0.4793580336        1.1477126177
  B        -1.4474874933        1.9544546574        0.8095963620
  H         2.3719067335        0.8633749424        1.3234868575
  O        -0.2671239482        1.2546036251        0.9487046210
  H         2.2972227781       -4.1297809451        1.2301330736
  B        -0.2353113780       -0.1436376259        1.0127535414
  H         0.1943708701       -2.9453305940        0.8649466668
  C         5.0919708276       -1.3009463237        4.4111467411
  O         2.4784611321        0.1572012121        4.3290453111
  C         5.0513017734        0.0837054862        4.5878090560
  B         1.3304935838        0.8656627152        4.1416195447
  C         6.2973775153        0.7067899771        4.6735293776
  O         1.4376494505        2.2897525698        4.0401494739
  C         7.4569855492        0.0320468399        4.5734014413
  C        -0.0124467841        0.2321601515        4.1567149383
  C        -7.5813176358       -1.3925585821        4.5608246079
  C        -0.0322448541       -1.1790013577        4.4324165550
  C         6.3357137932       -2.0270649766        4.3885485284
  C        -1.2829108725       -1.8343923454        4.5027735184
  B        -6.2631143706       -2.2753872995        4.5166991121
  C        -2.5324015600       -1.1690690439        4.2473591791
  O        -5.0980471279       -1.4939570713        4.2794874309
  C        -2.4057017524        0.2483803522        4.1084332854
  B        -3.8359622696       -2.0093251564        4.2401707701
  C        -1.1908830936        0.9661849965        4.0631771560
  O        -3.7215307855       -3.3345068027        4.4916453133
  H        -1.2593571999        2.0395436410        3.9632026995
  B        -4.8277345010       -4.1698624007        4.4625175937
  H        -3.3153076981        0.8343381407        4.1518710267
  O        -6.1321213252       -3.6232302441        4.6081056922
  H         0.8250462717       -1.8376369606        4.4430387733
  C        -4.7321677773       -5.7405107869        4.4174583268
  H        -1.2565328611       -2.9308233749        4.7389943929
  C        -3.6259330616       -6.5360873181        4.8071179240
  H         4.7174467339        4.6893716078        5.3691368594
  C         3.8342286658        5.1632936981        4.8491096695
  H        -2.6367730728       -6.1095485600        4.9630411148
  C         2.6637402881        4.4633397335        4.4212687774
  H         0.6882639396        4.7898742122        3.4846019226
  C         1.5893896603        5.2307764523        3.9614466506
  H        -6.7796375467       -5.8768761216        3.8788954428
  C        -5.9206155947       -6.4640311891        4.0331838441
  H        -6.6817362560        0.5859704137        4.5028250438
  B         2.5601958553        2.9188115596        4.4417817882
  H         6.2900030236        1.7922195684        4.9313446525
  O         3.5652245038        2.1572029146        5.0407998428
  H        -8.8067563335       -3.1126509384        4.2987130231
  B         3.6854882680        0.8120016211        4.6513412837
  H         4.1351065830       -1.8225280719        4.2213282376
  C         2.9180281295       -1.5422303428        8.1187468508
  O         0.3056989436       -0.1206877585        7.8774897290
  C         2.8525520709       -0.1196815250        7.9218861194
  B        -0.9398113437        0.4781403911        7.6779657090
  C         4.0510657132        0.5656853058        7.8191169671
  O        -0.9360669445        1.8411856524        7.4284788912
  C         5.3002043432       -0.1415544438        7.8476142768
  C        -2.2591203165       -0.2534469563        7.7345644422
  C         5.3284671463       -1.5433299544        7.9911230091
  C        -2.2223348362       -1.6935891531        7.7417413255
  C         4.1110995565       -2.2305808733        8.1009136023
  C        -3.4873023008       -2.3268201189        7.7230894001
  B        -8.4700906160       -2.4139411438        7.9398532279
  C        -4.6700469376       -1.6869434798        7.9051947035
  O        -7.3348182914       -1.7261032963        8.1062992652
  C        -4.6802230389       -0.2718740965        7.8453399643
  B        -6.0636645674       -2.3748708823        7.8932316502
  C        -3.4709667834        0.4280807348        7.7350109300
  O        -6.1481513284       -3.7591519627        7.7550201196
  H        -3.4400163516        1.4988112484        7.7101233506
  B        -7.3501127901       -4.4847505316        7.7411413923
  H        -5.6466003760        0.2826788965        7.8837532154
  O        -8.5339308285       -3.8110324541        7.7819462603
  H        -1.2706517497       -2.1926623487        7.5215234287
  C        -7.3907153826       -6.0953006362        7.5984156703
  H        -3.5982932358       -3.3868511930        7.7003589962
  C         1.3543978957        6.2605292153        7.5341493019
  H         2.1464514685        4.2069357714        7.4976011030
  C         1.3246725939        4.8949039551        7.6385519795
  H        -5.2678595968       -6.1671212404        7.5901643310
  C         0.1148147246        4.1763552473        7.5309458028
  H        -2.0664780809        4.5479489269        7.7463344941
  C        -1.0699450091        4.9268070480        7.6088222994
  H        -9.4534474959       -6.1781541314        7.9286571764
  C        -1.0422776481        6.3480611998        7.6440225045
  H         6.2374453990        0.3239500154        7.9290136679
  B         0.1511378990        2.6270442781        7.5634926313
  H         4.0837809792        1.6320283797        7.5425655496
  O         1.4292522522        1.9995364926        7.7737553166
  H         4.0621781748       -3.3164410195        8.0732813850
  B         1.4575767207        0.6216382558        7.8560489936
  H         1.9749506386       -2.0505689552        8.1697173944
  C         4.1741478890       -0.4900421047       -8.9175083074
  O         1.5898036976        0.9995999774       -8.6475324045
  C         4.1141352609        0.8939135877       -8.7318082351
  B         0.4178884924        1.5935626538       -9.0076640632
  C         5.3124333370        1.6167964526       -8.8223186046
  O         0.3784042112        2.9405797368       -9.2925973092
  C         6.5614018063        0.9833227322       -8.8196635000
  C        -0.9460596957        0.8438073276       -9.0900781544
  C         6.6018443193       -0.4157039112       -8.9419787077
  C        -1.0357485821       -0.6076766560       -9.2198384874
  C         5.3783125909       -1.0944017595       -9.1111261361
  C        -2.2413121081       -1.3372239591       -9.2266184641
  B        -7.1713477529       -1.2704377599       -9.0083692169
  C        -3.4774958149       -0.6885685915       -9.1151434419
  O        -5.9491013747       -0.6576034262       -8.9697172648
  C        -3.3503125250        0.7084070636       -9.0836240746
  B        -4.8124306119       -1.3875793153       -9.1127099917
  C        -2.2014859518        1.5232443149       -9.0214399857
  O        -4.9317108820       -2.7820561773       -9.2734783067
  H        -2.2894161659        2.6448505257       -8.9212221101
  B        -6.2022163023       -3.4005059467       -9.2909393989
  H        -4.3704918610        1.2521124296       -9.1307987502
  O        -7.3404103261       -2.6401511073       -9.1053175562
  H        -0.1261275125       -1.1810738931       -9.2119629329
  C        -6.1773108766       -4.9581991818       -9.1897453635
  H        -2.2518063379       -2.4332977813       -9.1670860607
  C        -4.9823487192       -5.6941351980       -9.0252859539
  H         3.5867786349        5.4923470822       -8.9400728155
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  H        -4.0058704182       -5.2641586727       -8.9358232988
  C         1.4883378972        5.2672163827       -9.1897183014
  H        -0.7293324669        5.4658444078       -9.2815504538
  C         0.2316926603        5.9588054695       -9.1434832715
  H        -8.3251997018       -5.2828855195       -9.3428081328
  C        -7.3744945733       -5.7394272196       -9.2335591933
  H         7.4671237431        1.5893559829       -8.6784840050
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  H         5.4589945812        2.6665148692       -8.8283973337
  O         2.7261624818        3.0643931486       -8.9566504217
  H         5.4106583404       -2.1670034172       -9.2705064973
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  H         3.2873701693       -1.1019496785       -9.0200366402
  C         1.2676961191       -3.5423071320       -5.7269469379
  O        -1.2541779534       -2.1050242211       -5.7547255493
  C         1.3025555963       -2.1574948299       -5.7374401298
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  X        -0.6959430669        4.7816773088       -2.8162736532
  X         1.7361855889       -0.6591011220        0.9115745434
  X         2.0250150482        5.7240155679       -9.3812380453
  X         2.2924397453        4.9125252902        3.9539711695
  X        -0.7598035363        4.7003713534       -5.8286075233
  X         6.0889876301        3.3421950079        2.0110867094
  X        -4.5745269677       -3.8307578520       -5.7754028506
  X         5.9034714642        1.1825518632       -9.1172133419
  X        -2.3519112391       -0.4891583665        3.8843960196
  X        -7.2557692254       -6.4136916734       -8.8849648373
  X         6.8088757774        0.3047223414        4.3186658754
  X        -0.3683007056        4.8608641128        1.2627246558
  X        -0.9772601445        5.6748065751        7.3410718262
  X         3.6650946668        5.8951518521        5.0467119958
  X        -2.8723955745       -0.7123423237       -1.9535541348
  X         1.0108650842        5.8006106122       -2.5554997514
  X         2.9536304235       -1.8358818105       -2.7946175353
  X         3.5589392367       -1.7892290620        7.8082247097
  X         1.8688386896       -2.5711004350        0.9092929929
  X        -1.6806050023       -0.8356036961       -8.9185918215
  X         5.9535398499       -0.6261329627       -9.2809864395
  X        -2.8540103090       -2.6188428312       -1.8732487542
  X         4.6307651868       -2.7424937804       -2.7267101086
  X         5.8933117021        4.5658419783        7.0450586441
  X        -1.1809925576       -6.0679660543       -0.7374547691
  X         6.4654605293        5.5164601310       -3.8383536697
  X         2.2412100447       -3.9776486742        5.4286874835
  X        -4.1051751081        4.4819974291        3.7918493124
  X        -6.6766199164        1.5074240270       -3.3524394699
  X         4.5468502638        2.6879213773       -0.3695936791
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0952083186        3.0054243826        5.4330040755
  C        -4.8437222969        3.6178290324        5.9626069613
  H        10.0093589850        4.6376892842        6.2255455942
  H        -4.5859003673        3.0953313006        6.9479809883
  C         8.6889746916        3.7109783423        4.2590963215
  H         7.8904005092        3.0673836752        3.9223533615
  H         8.3350995720        4.7053595849        4.5035909083
  C        -3.6636249270        3.5854873885        5.0248783447
  H        -3.3585280366        2.5062056739        4.9029417597
  H        -2.8303203832        4.1961689699        5.3627345711
  C        -5.2319316608        3.5887287441        3.2803028338
  H        -5.0382310323        2.5423431353        3.1055720564
  H         9.5624418797        4.0510009955        2.3691127854
  O        -4.0304709634        4.1951173074        3.7410461066
  O         5.8886848925        3.1082075475        2.0935699201
  C         4.6025403427        3.6429676312        1.8432661789
  H         3.8768764229        2.8022984176        2.1683483662
  H         4.5185795795        4.5040339867        2.4720435233
  C         6.2973830088        2.0160889586        1.2268685577
  H         7.3113218746        1.8508589091        1.5100257427
  H         5.7528332086        1.0794688489        1.4996065901
  C         4.4083676528        3.9916088902        0.4408545423
  H         5.0103343029        4.8917605565        0.0912587056
  H         3.3690691516        4.2281415929        0.2628782852
  C         6.0277657105        2.3454698048       -0.2431361818
  H         6.8230357510        3.0369734761       -0.5645764362
  H         6.1830838568        1.3805422368       -0.7617251826
  O         4.7182098315        2.9168100783       -0.4456695571
  O         5.7090636759        4.3341812751        7.1537558816
  C         6.6038136683        3.3387159089        7.5955428551
  H         5.9322282186        2.4768954357        7.8099263656
  H         7.2998705008        3.1113730014        6.7608923465
  C         4.9977582508        4.9390864352        8.2311877859
  H         4.5422414955        5.8891178732        7.7889878433
  H         4.2325825108        4.2059204934        8.6241539661
  C         7.4331854442        3.7406339491        8.7439676199
  H         8.1610321841        4.5809368544        8.3614853558
  H         8.0771263244        2.9370895021        9.1784189578
  C         5.9344215210        5.3329289947        9.3896375522
  H         6.5967266291        6.1649588035        9.0850599386
  H         5.3321154424        5.6529616112       -9.9474385093
  O         6.6778044293        4.2243008030        9.7982700228
  O         4.6262575846        5.9500716551       -6.2636820022
  C         5.8949815836        5.2822002625       -6.3766195059
  H         5.7214838870        4.2145107501       -6.2578598288
  H         6.1609177043        5.5532792515       -7.4023174852
  C         4.0495798280        5.5428268505       -4.9694255219
  H         3.1135259633        6.1055698042       -4.7764372095
  H         3.8846310697        4.4529199680       -4.9424078283
  C         6.7774529145        5.7526343768       -5.2786180362
  H        -0.6794280921       -6.2170363853       -5.3889095968
  H         7.7707604537        5.2314586403       -5.2685381983
  C         4.9634713981        5.9281646647       -3.8332742050
  H        -2.3955339032       -6.0432615903       -3.7857872710
  H         4.5762607417        5.5461914269       -2.8326531973
  O         6.2863679697        5.3772192950       -4.0362302140
  O         9.4822697188        3.3733943496       -5.1930083925
  C        -5.1311740984        3.3526260399       -3.8367579696
  H        -4.1801606011        2.6978269894       -3.6940924296
  H        -4.8347930672        4.4074821691       -3.6692951381
  C         8.7003104493        2.2600622500       -5.6419117982
  H         8.4057274419        2.4827344952       -6.6630534179
  H        -5.8193649560        1.3414533273       -5.7567239250
  C         8.7803811209        2.8870971506       -2.8449357098
  H         8.0905107220        3.7409763121       -2.8025933042
  H        -5.8873180934        2.5927022206       -1.8275353745
  C         7.6179968907        1.8010307289       -4.6363222219
  H         6.7377603894        2.5031904820       -4.6111515142
  H         7.2428547036        0.8000397083       -4.9775592148
  O         8.1841001718        1.7145040491       -3.3198700444
  O         0.2283330124       -5.3814793416        4.8567420511
  C         1.5544363545       -5.4524878691        4.4273542020
  H         2.0272460142       -6.4911645909        4.3289910559
  H         1.6574413514       -5.1494650410        3.3315364790
  C         0.0577762782       -5.8580267560        6.2400362837
  H        -0.8713996748       -5.4702190509        6.5167235824
  H         7.6511218411        6.0988790348        6.3154221423
  C         2.5166264806       -4.6453758082        5.3977720560
  H         2.0498924820       -3.5985240216        5.5106637467
  H         3.6406286797       -4.7703024803        5.1254575846
  C         1.0723829799       -5.1433544076        7.1120224660
  H         0.8773410590       -4.0149731229        7.1896869195
  H         1.1056614263       -5.6396414393        8.1205853357
  O         2.4571475705       -5.2522758473        6.6245146256
  O         1.6410637190       -6.2783542457        0.0165713331
  C         0.5726413094       -6.5037824000        1.0164995928
  H         7.9532924443        5.5342502059        1.0766422697
  H         0.8823194905       -6.1936291956        1.9505024218
  C         1.1070491714       -6.3660112871       -1.2921924221
  H         1.9847608229       -6.0956661715       -1.9378896953
  H         8.1422734207        5.7752276425       -1.5680930204
  C        -0.7454024794       -5.7172475661        0.6612245855
  H        -0.4842519846       -4.7111545189        1.0271883968
  H        -1.5902352566       -6.0779067381        1.3604073728
  C        -0.0605746292       -5.4193639638       -1.5241014872
  H         0.1854502644       -4.4155979402       -1.1568022548
  H        -0.4649461816       -5.3609259820       -2.5776129394
  O        -1.1429420372       -5.7628127702       -0.6873248243
  C         1.1555867547       -2.3239204504        1.1027222653
  O        -1.4514480538       -0.7700218135        0.8440643010
  C         1.0979511857       -0.9147449266        1.1387194070
  B        -2.6566858244       -0.0818694719        1.0130522445
  C         2.3039780400       -0.2224965051        1.2400004308
  O        -2.6768332798        1.2996859573        0.9365601265
  C         3.5327283342       -0.9771610969        1.1404839981
  C        -3.9552043388       -0.9015570813        1.1304772304
  C         3.5619931241       -2.3725582019        1.2362972355
  C        -3.9719432836       -2.2945059119        1.0617091726
  C         2.3144606052       -3.0530359110        1.2656403267
  C        -5.2228139292       -3.0100546430        0.9207607684
  B         4.9168086107       -3.1784973278        1.2468108147
  C        -6.4037604990       -2.2569328196        1.0177407202
  O         6.0399885811       -2.3840714975        1.0169662881
  C        -6.3912396059       -0.8769492793        1.1831057295
  B        -7.7528581284       -3.0122069369        1.0478064628
  C        -5.1799909667       -0.1973673848        1.2868286104
  O        -7.6989214581       -4.4215411271        1.2294819936
  H        -5.2325529390        0.8956334977        1.3901917386
  B        -8.8715894507       -5.2227720965        1.3099732349
  H        -7.3999143303       -0.4932801958        1.2205809141
  O       -10.0663148108       -4.4757115256        1.5829143984
  H        -2.9754057233       -2.7305600017        0.9167888954
  C        -1.3568699779        6.3162946111        1.0804942912
  H        -5.2563110337       -4.0986812820        0.8907404333
  C        -0.1630552403        5.5669343988        1.0559176195
  H         0.6858642700        3.7055386338        0.9350030725
  C        -0.2402683500        4.2317380575        0.8824208105
  H         0.7998747875        6.0684663063        1.2646663873
  C        -1.4211016791        3.5118582685        0.7743285014
  H        -3.6637877292        3.8228555818        0.6827970074
  C        -2.6263109333        4.2712053958        0.8222174550
  H        -3.4838497047        6.2010516862        1.1750053502
  C        -2.5777884177        5.6126131735        1.0114269590
  H         4.4632768836       -0.4320014128        1.1057330353
  B        -1.4534950447        1.9604387497        0.7913095372
  H         2.3624206222        0.8435738060        1.2669678330
  O        -0.2542353881        1.2667729693        0.9447178929
  H         2.3018377787       -4.1296669591        1.2412283903
  B        -0.2293895962       -0.1384012265        0.9997944492
  H         0.2270782976       -2.9301316258        0.8330119567
  C         5.0971682074       -1.3033169483        4.4286695714
  O         2.4721727157        0.1705033293        4.3190191229
  C         5.0417569710        0.0930704348        4.5970239912
  B         1.3520177119        0.8729114039        4.1455029602
  C         6.3035434506        0.7071183845        4.6658628294
  O         1.4113448805        2.2788579914        4.0411135903
  C         7.4751337632        0.0237412884        4.5752611241
  C        -0.0121700721        0.2364859800        4.1595305490
  C        -7.5795857150       -1.4139942640        4.5402343571
  C        -0.0481947044       -1.2092923246        4.4274287591
  C         6.3379113726       -2.0258583036        4.3792506481
  C        -1.2788389484       -1.8381570469        4.4881040209
  B        -6.2527464331       -2.2879685956        4.5454525015
  C        -2.5271308086       -1.1670176387        4.2299147546
  O        -5.1079791796       -1.4741768769        4.2822402070
  C        -2.4099930449        0.2761387582        4.0982115795
  B        -3.8495519658       -1.9995017737        4.2605808903
  C        -1.2170425354        0.9644371300        4.0795796072
  O        -3.7273836475       -3.3493786203        4.4900467782
  H        -1.2211150339        2.0427412918        3.9817098104
  B        -4.8276797873       -4.1542647531        4.4667602901
  H        -3.3284967139        0.8371084922        4.0594554715
  O        -6.1312373733       -3.6207790328        4.5878205112
  H         0.9166380808       -1.8469219160        4.4331863616
  C        -4.7484400396       -5.7449673539        4.3823864171
  H        -1.2982446285       -2.9312770916        4.6881410504
  C        -3.6371851656       -6.5328140327        4.8159390395
  H         4.6599572906        4.6401712488        5.3147381025
  C         3.8479337889        5.1657922906        4.8499985280
  H        -2.6408745132       -6.0796751699        5.0237707505
  C         2.6712366238        4.4683541514        4.4411050380
  H         0.6854000757        4.7825542697        3.5507136001
  C         1.5805055723        5.2486741440        3.9450043249
  H        -6.8055497153       -5.8162556546        3.8914546209
  C        -5.9149530461       -6.4449287512        4.0491064832
  H        -6.7077544473        0.5887849958        4.4459583258
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  H         6.3301954384        1.7678434032        4.8925029143
  O         3.5670542883        2.1407489893        5.0569039570
  H        -8.8519535811       -3.1173869054        4.3248090112
  B         3.6877712417        0.8191377874        4.6427464296
  H         4.1233688983       -1.8170956501        4.2190553937
  C         2.9260005894       -1.5307229687        8.1148473900
  O         0.2992805316       -0.1360013071        7.8693725591
  C         2.8576037672       -0.1130207034        7.9286485018
  B        -0.9437791270        0.4762567066        7.6990174825
  C         4.0546249085        0.5521813493        7.8255817434
  O        -0.9412705968        1.8313284088        7.4373695636
  C         5.2981240611       -0.1603316656        7.8488408192
  C        -2.2812645001       -0.2652123305        7.7314292087
  C         5.3082569982       -1.5237034580        7.9813932752
  C        -2.2307904844       -1.6824910785        7.7336015633
  C         4.1006215437       -2.2225115605        8.0966833972
  C        -3.4779448523       -2.3280594833        7.7117994638
  B        -8.4872261908       -2.4031244668        7.9581506875
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  O        -7.3058273075       -1.7221066041        8.1207866309
  C        -4.6902921000       -0.2708209546        7.8379184424
  B        -6.0759901156       -2.3760695442        7.9012844699
  C        -3.4770997625        0.4236305310        7.7423282670
  O        -6.1445514743       -3.7585124493        7.7517116615
  H        -3.4283611694        1.5296003468        7.6538876634
  B        -7.3326811750       -4.4721952629        7.7329811462
  H        -5.6525510986        0.2645532702        7.9100457058
  O        -8.5429254454       -3.7887810364        7.7895667102
  H        -1.3217235095       -2.2022070740        7.5139834839
  C        -7.3794628534       -6.0906498626        7.5989051207
  H        -3.5851266112       -3.3955133161        7.6527809063
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  H         2.1552862435        4.2520633240        7.5356346638
  C         1.3200032791        4.9000911762        7.6269314268
  H        -5.2796506595       -6.2223600169        7.5239798676
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  H        -2.0473645289        4.5094301489        7.6956067665
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  H        -9.5211587858       -6.1704609506        7.9357739813
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  H         4.1726849022        1.6019625281        7.5918307694
  O         1.4443433570        1.9822061936        7.7621706893
  H         4.0524322554       -3.3414917927        8.1325653896
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  H         2.0286241058       -2.0766070596        8.2582729291
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  O         1.5840702488        0.9799959751       -8.6486144437
  C         4.1141520477        0.9056198593       -8.7268385550
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  O         0.3822781477        2.9500621907       -9.2932783998
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  C        -0.9508888068        0.8485016737       -9.0858201535
  C         6.6033681321       -0.4129189866       -8.9219549512
  C        -1.0313123623       -0.5851261955       -9.2253455837
  C         5.3943465575       -1.0967542153       -9.0922547971
  C        -2.2480696116       -1.3280805790       -9.2347465071
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  C        -3.3686350106        0.7159564691       -9.0726524310
  B        -4.8133920337       -1.3958110675       -9.1056919995
  C        -2.2036968097        1.5236299891       -9.0109542981
  O        -4.9308495687       -2.7666997605       -9.2786458956
  H        -2.3233138726        2.6418317802       -8.9121442278
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  H        -4.2998993628        1.2534506706       -9.1038827089
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  H        -0.0829171772       -1.1152156641       -9.2962516276
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  H        -2.2271539770       -2.3561764460       -9.2558567619
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  H         7.4786601125        1.5688400282       -8.6482633037
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  H         3.2713684557       -1.0754775185       -9.0193461326
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  X        -2.3864738741       -0.9673785073        7.4734547514
  X         1.6794265586       -0.6485451667        1.4672866444
  X         0.9120942446        5.7045755078       -9.4428051349
  X         1.9237380315       -3.8047856746       -5.4755850128
  X         4.7287678987        3.0385209288       -0.7192142753
  X        -2.4804720874        4.9861466629        0.6339775477
  X        -0.1896271305        3.5957047238       -6.1678863259
  X        -0.7353839864        4.7934375718       -2.2409105019
  X         4.6980688378        1.1679604555       -9.0652506528
  X        -0.9801546880        5.6664525872        7.3269538148
  X         3.0942693195        4.9162461798        4.8758586596
  X         1.6533044864        5.9124485568        4.3181902203
  X         0.6446782570        4.6072857502        7.3205755102
  X        -8.1783408395       -1.6397084824        4.1879133245
  X        -3.9847801506       -0.7936834472       -2.0155651378
  X        -4.0545946109       -2.6954467901       -1.9522642414
  X        -2.3415815460       -0.4769781821        3.8743037232
  X         0.9718213951        3.8978760425       -2.6537946698
  X         3.5464455342       -1.7985581737        7.8027246844
  X         4.8446409980       -0.6521546593       -9.2720342668
  X         4.6961313190       -2.6846635028       -2.1695802720
  X         3.4742954902       -1.6675806962        1.4666257252
  X        -5.6050130517       -1.9928828031       -5.4028217581
  X        -2.6961118067        1.0282006721       -9.3420171881
  X         4.5640193186       -0.9827498341       -3.2149786587
  X         6.8715173481        4.3254509223       10.0049482582
  X        -0.0853998718       -6.1305824619        0.8140012109
  X         4.4443063174        5.8273970337       -6.4769855221
  X        -4.5050636287        3.9451461112        3.5888996619
  X         6.0768797786        3.3316928802        2.0178266886
  X         2.6135014849       -5.0750968393        6.8084337698
  X         7.9847631403        1.7872553928       -3.8345023570
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0885702169        2.9906388671        5.4508855977
  C        -4.8481603703        3.6163884749        5.9644038514
  H         9.9955419182        4.7128162857        6.2139183853
  H        -4.6032068321        3.1145398989        7.0087473632
  C         8.7139405573        3.7008569771        4.2698536171
  H         7.8887939729        2.9737324832        3.8679414660
  H         8.3551942200        4.7394549003        4.4948410812
  C        -3.6559532154        3.5949015273        5.0036170738
  H        -3.3619153126        2.5901495491        4.9414334475
  H        -2.8353503220        4.1649742588        5.4132341879
  C        -5.2381220648        3.5926093688        3.2811633144
  H        -5.0209803409        2.5541015050        3.0487928196
  H         9.5534339076        4.0677362654        2.3289493055
  O        -4.0299891322        4.1946476856        3.7600511611
  O         5.8828179568        3.0972723660        2.0991080604
  C         4.5993747546        3.6225568106        1.8319597157
  H         3.8308919010        2.9126122293        2.1554113245
  H         4.5480993089        4.4996642488        2.4780582508
  C         6.2922330186        2.0037774407        1.2279485786
  H         7.3491069586        1.8149223839        1.5200206417
  H         5.7722716268        1.0574417375        1.5236049327
  C         4.4146032124        3.9723401607        0.4418802244
  H         4.9545346153        4.9289799571        0.1349682845
  H         3.3845663314        4.2790486912        0.2649425317
  C         6.0205612732        2.3690575448       -0.2227295827
  H         6.7535867487        3.1054090777       -0.6348140005
  H         6.1747002718        1.4117423434       -0.8213282956
  O         4.7047130328        2.9164420276       -0.4390281663
  O         5.7064883538        4.3318586893        7.1625676777
  C         6.6132904034        3.3290367732        7.5849383292
  H         5.9428841326        2.5294282691        7.7462222126
  H         7.2656779805        3.0874409301        6.7418852337
  C         5.0055712478        4.9389945342        8.2261427975
  H         4.5506468179        5.8479111590        7.7998354625
  H         4.1938310401        4.2408399266        8.5886896555
  C         7.4434525733        3.7593157855        8.7335459543
  H         8.1368632370        4.6450451085        8.4425246915
  H         8.1074004893        2.9472071973        9.1546144218
  C         5.9354825915        5.3309212196        9.3978903347
  H         6.5862340749        6.0879148403        9.1210863580
  H         5.3374756619        5.6340099055       -9.9092247017
  O         6.6929584450        4.2294954136        9.8069868666
  O         4.6274262306        5.9454940019       -6.2400780766
  C         5.8937880733        5.2696933927       -6.3802149570
  H         5.7119640169        4.1915974186       -6.2531985661
  H         6.1601399797        5.5788014873       -7.4310486170
  C         4.0712699847        5.5358108180       -4.9637268307
  H         3.1490274622        6.0535785811       -4.8507820806
  H         3.8474350307        4.4377464211       -4.8328211313
  C         6.8063935651        5.7426932657       -5.2634826704
  H        -0.6606757837       -6.2094254790       -5.3616854263
  H         7.8183228797        5.3416222918       -5.2619556901
  C         4.9629294251        5.9318121827       -3.8111064185
  H        -2.4476686733       -6.0682980367       -3.8251513010
  H         4.5750076033        5.5952947398       -2.8473662961
  O         6.2834963333        5.3745717242       -4.0253807784
  O         9.4753045171        3.3770124893       -5.2081880136
  C        -5.1494753888        3.3334830866       -3.8151980606
  H        -4.2648331747        2.6757054511       -3.7413517384
  H        -4.8610447506        4.3672970106       -3.6992862186
  C         8.7107967866        2.2700911916       -5.6118033138
  H         8.3728303808        2.5058624766       -6.6963279771
  H        -5.8174399222        1.3594932345       -5.7741615433
  C         8.7718220880        2.8751649117       -2.8364666846
  H         8.0930610733        3.7593355574       -2.7674140986
  H        -5.8648661417        2.5877521267       -1.8794794175
  C         7.6196667024        1.7799992642       -4.6275091005
  H         6.7439417952        2.5017774853       -4.5529751212
  H         7.2273181615        0.8139858800       -4.9723433894
  O         8.1742807871        1.7188287775       -3.3209032959
  O         0.2107925761       -5.3722755694        4.8574594652
  C         1.5525818802       -5.4640393509        4.4374023204
  H         2.0379531546       -6.4827228963        4.2886833902
  H         1.6120747149       -5.1198618029        3.3241521635
  C         0.0651583502       -5.8640652364        6.2397684951
  H        -0.9240044534       -5.4583778896        6.5300256336
  H         7.6239973772        6.1045219773        6.3218484069
  C         2.5191495476       -4.6388988095        5.4037461920
  H         2.0544463976       -3.5489303338        5.5414072805
  H         3.6166424625       -4.8108482147        5.1524059274
  C         1.0977480386       -5.1419523766        7.1213386112
  H         0.9638049132       -4.0525488537        7.2257436096
  H         1.0863143681       -5.6567433977        8.0568391083
  O         2.4682754492       -5.2397740020        6.6241520212
  O         1.6573705989       -6.2801128193        0.0123938923
  C         0.5665459213       -6.5192211175        1.0025461712
  H         7.9586540359        5.4935473431        1.0397204412
  H         0.8740785488       -6.1702679957        1.9604847043
  C         1.1162940651       -6.3604376600       -1.3099315451
  H         1.9816282762       -6.0529067242       -1.9522982285
  H         8.1465513689        5.8061973488       -1.5912304851
  C        -0.7470882320       -5.7289396573        0.6844376760
  H        -0.4920420830       -4.7041370374        1.0587742471
  H        -1.5693359468       -6.0753815576        1.3425425223
  C        -0.0515987908       -5.4104415325       -1.5317405684
  H         0.1969928828       -4.4243085399       -1.1112081058
  H        -0.4252176011       -5.3777865722       -2.5487117676
  O        -1.1596273192       -5.7528224337       -0.6872542357
  C         1.1478075698       -2.3271364697        1.1062653427
  O        -1.4491526176       -0.7799610042        0.8198092620
  C         1.1017457117       -0.9223333520        1.1296937328
  B        -2.6572110000       -0.0787828576        0.9925483969
  C         2.2841281580       -0.2262650595        1.2292356367
  O        -2.6750799318        1.3088207641        0.9364944262
  C         3.5176237192       -0.9743245255        1.1345342434
  C        -3.9694335084       -0.8969105400        1.1360859249
  C         3.5591873520       -2.3729316717        1.2406496452
  C        -3.9677349649       -2.3029069089        1.0431931706
  C         2.2858497003       -3.0601725241        1.2600313582
  C        -5.2084192818       -2.9955625359        0.9291488735
  B         4.9181161911       -3.1795781510        1.2526355667
  C        -6.3951359429       -2.2590380817        1.0083750939
  O         6.0561986325       -2.3856440095        0.9963441708
  C        -6.3957891806       -0.8684711041        1.1867146657
  B        -7.7519468557       -3.0249294390        1.0441784622
  C        -5.1764956664       -0.2008777312        1.2853985284
  O        -7.6837691304       -4.4249426756        1.2311923203
  H        -5.2276967462        0.9135139463        1.4339806606
  B        -8.8800320653       -5.2254889044        1.3309707922
  H        -7.3833405320       -0.4355015578        1.2451992631
  O       -10.0663986454       -4.4795901787        1.5953333861
  H        -2.9454427847       -2.6796149919        0.9531856558
  C        -1.3720018150        6.3310142037        1.0783203529
  H        -5.2544641626       -4.1121747516        0.8442827312
  C        -0.1716764125        5.5645853931        1.0444480851
  H         0.6507382603        3.6495903702        0.9236629324
  C        -0.2390862066        4.2502865033        0.8712044399
  H         0.7916890316        6.0431288952        1.2310040452
  C        -1.4058044720        3.4993102219        0.7678881615
  H        -3.6396100204        3.8523800014        0.7128470561
  C        -2.6361376112        4.2857288586        0.8374931919
  H        -3.4898217537        6.1680937157        1.1684756064
  C        -2.5671610082        5.6225987916        1.0122514708
  H         4.4230167326       -0.3779431739        1.0627289771
  B        -1.4579302243        1.9664094856        0.7763770782
  H         2.3415670605        0.8604752765        1.2160374028
  O        -0.2396062457        1.2776334564        0.9405097696
  H         2.3072177192       -4.1516328670        1.2507950323
  B        -0.2291328494       -0.1299014283        0.9864492657
  H         0.3020497403       -2.8647089418        0.8380414437
  C         5.1001039005       -1.3095485039        4.4411132553
  O         2.4740872753        0.1795798272        4.3096484753
  C         5.0339329891        0.0936777294        4.6056578415
  B         1.3707050602        0.8910306692        4.1477839690
  C         6.3059178150        0.7122516012        4.6616839021
  O         1.3864757879        2.2668673978        4.0410972208
  C         7.5015991176        0.0091363841        4.5768515033
  C        -0.0156097328        0.2303527341        4.1665559458
  C        -7.5670330662       -1.4305925239        4.5190913848
  C        -0.0633403833       -1.2330686274        4.4187608529
  C         6.3196207432       -2.0293417857        4.3742860256
  C        -1.2792701047       -1.8455985565        4.4725608085
  B        -6.2395857844       -2.2824666377        4.5670211422
  C        -2.5127526291       -1.1577180384        4.2167542397
  O        -5.1210166426       -1.4533304681        4.2857393240
  C        -2.4209754167        0.2947822648        4.0893260324
  B        -3.8617749201       -1.9852956053        4.2827057032
  C        -1.2407503069        0.9595399756        4.0978046098
  O        -3.7310476202       -3.3680131011        4.4867133750
  H        -1.1716970906        2.0565836096        4.0030693970
  B        -4.8309389701       -4.1470519582        4.4715267375
  H        -3.3671949479        0.8498299879        3.9564679554
  O        -6.1284115220       -3.6209988232        4.5674950654
  H         0.9321450344       -1.7875216518        4.4367056081
  C        -4.7623650188       -5.7473070002        4.3496434104
  H        -1.3436218744       -2.9079132443        4.6273751590
  C        -3.6455053624       -6.5233194839        4.8211219243
  H         4.6269032618        4.5620498403        5.2550019591
  C         3.8561015427        5.1673670355        4.8508160025
  H        -2.6862362374       -6.0466199891        5.0920143418
  C         2.6785447735        4.4759677411        4.4589407730
  H         0.6712409678        4.7603562352        3.6238289831
  C         1.5750175899        5.2635189967        3.9333098793
  H        -6.8269830947       -5.7802082880        3.8847870333
  C        -5.9122664736       -6.4225774443        4.0627741138
  H        -6.7172340784        0.5886820510        4.4132399203
  B         2.5733013533        2.9036041775        4.4671824015
  H         6.3710876880        1.7613789418        4.8263893162
  O         3.5718390634        2.1252513888        5.0702325516
  H        -8.8880514438       -3.1192234512        4.3486304516
  B         3.6855648275        0.8276551307        4.6372733179
  H         4.1600601695       -1.8107668538        4.2343068086
  C         2.9319521306       -1.5140290991        8.1079449629
  O         0.2926477441       -0.1499703647        7.8617077671
  C         2.8562995445       -0.1095532387        7.9391674502
  B        -0.9413597448        0.4751382015        7.7188049902
  C         4.0712975855        0.5390729614        7.8290838629
  O        -0.9495261778        1.8238816186        7.4458973189
  C         5.2948220115       -0.1718851192        7.8530025823
  C        -2.2968241485       -0.2837559263        7.7282334830
  C         5.2935619531       -1.5159058710        7.9704559393
  C        -2.2496175187       -1.6686266084        7.7213069824
  C         4.0906576503       -2.2201743520        8.0910774657
  C        -3.4630580045       -2.3371715886        7.7019627918
  B        -8.5091181192       -2.3882086574        7.9749174558
  C        -4.6798470709       -1.6620847754        7.8927120138
  O        -7.2699685946       -1.7184841494        8.1332450491
  C        -4.6995592031       -0.2681168575        7.8306459041
  B        -6.0911979794       -2.3802668641        7.9102137990
  C        -3.4878627447        0.4220073095        7.7484763740
  O        -6.1395767040       -3.7581561130        7.7489175914
  H        -3.4276268780        1.5280468404        7.6081708618
  B        -7.3181129629       -4.4669230071        7.7221292100
  H        -5.6369568903        0.2416631268        7.9279742719
  O        -8.5501233038       -3.7651082842        7.7985198208
  H        -1.3437134731       -2.2276756473        7.5236089346
  C        -7.3674339119       -6.0727141401        7.5985787232
  H        -3.5473262444       -3.4435815008        7.6013977250
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  H         2.2309476178        4.2975985082        7.5866569895
  C         1.3152054221        4.8995851650        7.6098606149
  H        -5.2841907995       -6.2987310727        7.4526766412
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  H        -2.0561249250        4.4205076821        7.6417965324
  C        -1.0767868320        4.9351436347        7.5805127747
  H        -9.5607323546       -6.1819641185        7.8965956400
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  H         6.3050980656        0.3837344550        7.8131018100
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  H         4.2311034937        1.5964036901        7.6516390532
  O         1.4551310793        1.9704826701        7.7507295868
  H         4.0498998750       -3.3213266216        8.1971292291
  B         1.4865418940        0.6391842774        7.8432463054
  H         2.0213892330       -2.1211523017        8.3479700942
  C         4.1691367570       -0.5126339967       -8.9131515093
  O         1.5795699662        0.9577003844       -8.6468180044
  C         4.1143875501        0.9161387090       -8.7252171214
  B         0.4516007606        1.5997728839       -9.0030981598
  C         5.3400295846        1.5887357995       -8.8386307216
  O         0.3884043397        2.9620039668       -9.2939918047
  C         6.5685651430        0.9541266964       -8.8025328726
  C        -0.9575946405        0.8477999121       -9.0826783049
  C         6.6079662164       -0.4134810199       -8.9052309222
  C        -1.0276360105       -0.5606125330       -9.2279036031
  C         5.4114407985       -1.1039110538       -9.0702311300
  C        -2.2445188013       -1.3114671933       -9.2405627256
  B        -7.2092878517       -1.2636030891       -9.0288295373
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  B        -4.8158419254       -1.4081522214       -9.0990250363
  C        -2.2076451260        1.5195721200       -9.0012289819
  O        -4.9311822774       -2.7541883080       -9.2837942735
  H        -2.3396315754        2.5797707152       -8.9173523699
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  H        -4.2683394318        1.2801430215       -9.0630105378
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  H        -2.1899589308       -2.3983160400       -9.3606434043
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  H        -8.3685607459       -5.2302513134       -9.3243201243
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  H         5.4587856743       -2.1925434046       -9.1734687596
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  X        -5.0543023691       -2.6272894046       -9.5270101948
  X        -0.7449607120        4.6706970491       -5.8335444090
  X         6.0570115634        3.9617760926        7.3670704276
  X        -2.4786815879        4.9970009420        0.6424120553
  X         5.8702150483        2.9811554275        2.3807608872
  X         2.0910681136        4.9508388389        4.4823715086
  X        -0.7290853123       -1.4710308819        4.1403344953
  X         4.6949003805        1.1577761811       -9.0650831195
  X         6.0708505290       -2.4817113709        1.2838384592
  X         1.2134821828        5.5670678089        7.2912633268
  X        -3.9525259646       -2.8936142309       -5.7238941084
  X         0.9015209158        5.6694358458       -9.4484078923
  X        -2.3411172302        3.6620209103       -5.8364928651
  X         1.5333746875        4.9198948552       -2.5023017896
  X         3.5996394113       -1.7394448246        8.3661346754
  X         4.8611038355       -0.6675547632       -9.2647281441
  X        -5.3536170519       -6.1793388706        4.4960408049
  X         1.3538350205       -2.8580546916       -5.4721959936
  X        -6.6706015670       -5.3874335480       -9.4909665735
  X        -0.1880407228        5.7036220117       -2.1902702217
  X         1.7139375264       -2.6059012729        1.4787960570
  X        -4.5439653949       -1.7736099812       -2.0924826266
  X         5.1266702358       -0.6044943465        4.8033654612
  X         3.5476037008       -2.7113410432       -2.6429379356
  X        -0.6770178111        0.5392733129        4.4161415617
  X        -2.8768334711       -2.5852162681       -1.8803460956
  X        -2.7234795558        1.0028301186       -8.7559314643
  X         3.1033069662       -1.9242111786       -5.6171183124
  X         6.9678423714        4.0664350744        9.3676970465
  X         4.7991654236        4.5991085161        0.2554677383
  X        -4.1072095022        4.4802066785        3.8348539752
  X         4.4435817479        5.8288244207       -6.4533582293
  X        -1.2288202378       -6.0464512270       -0.7374209472
  X         2.0349712312       -5.0377569025        4.8982753882
  X         7.9454668942        1.6780841125       -3.1431392916
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0841689013        2.9779869364        5.4700962624
  C        -4.8504153956        3.6214925867        5.9788261336
  H         9.9965288356        4.7329874049        6.1907946908
  H        -4.6373850129        3.1717984947        6.9674084835
  C         8.7328019461        3.6798258819        4.2771477097
  H         7.9230080498        2.9802698063        3.8248580288
  H         8.3841771560        4.7430305078        4.4678706908
  C        -3.6551839708        3.6089465906        4.9858106641
  H        -3.3346662569        2.5822784690        4.9460817809
  H        -2.8187431766        4.1542025519        5.4667822593
  C        -5.2457100796        3.6002689015        3.2808794054
  H        -5.0154091808        2.5309805192        2.9938662959
  H         9.5646801675        4.0924704118        2.2987300583
  O        -4.0290952620        4.1937158530        3.7791740715
  O         5.8796617861        3.0834712525        2.1060349707
  C         4.5979995783        3.6014624271        1.8291024324
  H         3.7657553328        3.0035042132        2.1492785732
  H         4.5616180848        4.5066307359        2.4898880629
  C         6.2831351075        1.9938427036        1.2334262782
  H         7.3810224487        1.7962476261        1.4909325234
  H         5.7802893145        1.0570609278        1.5363767993
  C         4.4194962062        3.9652557094        0.4333888529
  H         4.9085502317        4.9199198496        0.1983106011
  H         3.3663910504        4.3140833122        0.2679160911
  C         6.0179550498        2.3913596846       -0.2067780811
  H         6.6849159521        3.1622314964       -0.6846427754
  H         6.1285490875        1.4985699731       -0.8668348712
  O         4.6913571960        2.9132797096       -0.4332254481
  O         5.7047650153        4.3348373715        7.1682706053
  C         6.6222797639        3.3211333426        7.5704484110
  H         5.9453628782        2.4871302017        7.7364743466
  H         7.2279746173        3.0606896430        6.7147379248
  C         5.0112375170        4.9387345298        8.2233112989
  H         4.5459850179        5.7996965264        7.8133916716
  H         4.1801683296        4.2991080794        8.5539645900
  C         7.4651930077        3.7809079017        8.7258302736
  H         8.0833876073        4.6510776825        8.5146663438
  H         8.1130238798        2.9790917949        9.0975802759
  C         5.9271298644        5.3225862340        9.4069040610
  H         6.6443038363        6.1151257315        9.1178635016
  H         5.3344664183        5.6240450484       -9.8745143924
  O         6.7068340654        4.2320977530        9.8190265266
  O         4.6266027010        5.9378464603       -6.2116728609
  C         5.8897621629        5.2598359201       -6.3884622254
  H         5.7171625155        4.1560785171       -6.2707988162
  H         6.1902277665        5.5699956798       -7.4169357671
  C         4.0929543397        5.5266502897       -4.9575626842
  H         3.1243011587        6.0288556400       -4.9258628733
  H         3.8233289164        4.4430912105       -4.7690420544
  C         6.8377055883        5.7383319182       -5.2513436372
  H        -0.6406658001       -6.2300038875       -5.3210777108
  H         7.8782068082        5.4288574195       -5.2800663651
  C         4.9659807657        5.9347334298       -3.7943351214
  H        -2.5146483809       -6.0531442422       -3.8527493700
  H         4.5827323143        5.6354186886       -2.8549494096
  O         6.2793589904        5.3697990887       -4.0097025715
  O         9.4689603870        3.3811910780       -5.2198415717
  C        -5.1748832025        3.3125390231       -3.7954848939
  H        -4.3526939965        2.6529752945       -3.7901991980
  H        -4.8692161276        4.3514337984       -3.6871907735
  C         8.7150198832        2.2765381652       -5.5889706406
  H         8.3293460648        2.5227686982       -6.6424143540
  H        -5.7595452468        1.3639960766       -5.7933429265
  C         8.7715176546        2.8684531580       -2.8360488408
  H         8.0884228035        3.7521276083       -2.7207031940
  H        -5.8516847605        2.6052791620       -1.9209036909
  C         7.6175839919        1.7714185390       -4.6198538297
  H         6.7755391829        2.4751338513       -4.5150737656
  H         7.2260384315        0.8202316419       -4.9458238631
  O         8.1621645878        1.7162232102       -3.3213551189
  O         0.1927540880       -5.3669407624        4.8596834387
  C         1.5623318597       -5.4731780774        4.4375495571
  H         1.9972108229       -6.4616900211        4.2989035185
  H         1.5538392630       -5.0771304973        3.4145018424
  C         0.0730127630       -5.8626349224        6.2352481621
  H        -0.9754251614       -5.4740890496        6.5512559304
  H         7.6020459387        6.1297873743        6.3178128796
  C         2.5193251788       -4.6300098197        5.3979487460
  H         2.1336302595       -3.5736547271        5.5302268419
  H         3.5338734456       -4.7867175758        5.1405412813
  C         1.1269245105       -5.1436620248        7.1282351333
  H         1.0023507446       -4.0915141180        7.2656986212
  H         1.0756124421       -5.6772512621        8.0583012918
  O         2.4754442439       -5.2302496309        6.6325650048
  O         1.6686416940       -6.2824672726        0.0120825259
  C         0.5582214277       -6.5331777092        0.9805658487
  H         7.9452596896        5.4027033230        0.9989791161
  H         0.9053901027       -6.1352263696        2.0160965634
  C         1.1260798885       -6.3492713673       -1.3316176664
  H         1.9441473686       -6.0426848248       -1.9670141208
  H         8.1980420262        5.7644389011       -1.6025049312
  C        -0.7439268510       -5.7398078013        0.7104339736
  H        -0.5253459999       -4.6992794985        1.0575083309
  H        -1.5395360564       -6.0866524085        1.3009543219
  C        -0.0422067901       -5.3958837897       -1.5311609493
  H         0.2451867621       -4.4040315569       -1.1151213511
  H        -0.3847399555       -5.3936080124       -2.5421529640
  O        -1.1788191851       -5.7469561919       -0.6840344197
  C         1.1422722384       -2.3291045119        1.1102012459
  O        -1.4477718636       -0.7900117150        0.7982542707
  C         1.1007724828       -0.9288394020        1.1186400037
  B        -2.6540772146       -0.0788514691        0.9712447865
  C         2.2769192083       -0.2364612970        1.2158806334
  O        -2.6718214932        1.3172989394        0.9347097169
  C         3.4967098276       -0.9670550502        1.1334310574
  C        -3.9822825841       -0.8906955483        1.1415833588
  C         3.5525164888       -2.3769973528        1.2448360500
  C        -3.9669277628       -2.3098932100        1.0217951993
  C         2.2687770988       -3.0637720915        1.2547836408
  C        -5.1868250263       -2.9832024037        0.9403531193
  B         4.9204285981       -3.1683714024        1.2591145815
  C        -6.3888208483       -2.2651842407        0.9974017796
  O         6.0794231687       -2.3899097117        0.9746260246
  C        -6.3981639214       -0.8612566819        1.1907982173
  B        -7.7581017722       -3.0394515998        1.0434354531
  C        -5.1763447360       -0.1997004609        1.2807256580
  O        -7.6736437884       -4.4307500846        1.2310174807
  H        -5.1949612161        0.8850734011        1.4618765666
  B        -8.8865492426       -5.2164950433        1.3503900379
  H        -7.3693345125       -0.3413806286        1.2831923653
  O       -10.0647377840       -4.4907257608        1.6063834008
  H        -2.9364113629       -2.6765431431        0.9946481750
  C        -1.3810732250        6.3452865038        1.0794688267
  H        -5.2480443222       -4.0775919618        0.8008117171
  C        -0.1815753490        5.5769001052        1.0349881152
  H         0.6605635554        3.5855274128        0.9055170782
  C        -0.2327441217        4.2526860781        0.8600490196
  H         0.7831104937        6.0247920762        1.1776132591
  C        -1.4038285299        3.4939679097        0.7610059272
  H        -3.5955373221        3.8629801045        0.7489063846
  C        -2.6414533300        4.2886273255        0.8500245059
  H        -3.5155866443        6.1483250352        1.1434534711
  C        -2.5604939319        5.6411917356        1.0155164058
  H         4.3952044893       -0.3324671852        1.0216304106
  B        -1.4589871478        1.9715370044        0.7679199100
  H         2.3120704396        0.8801996444        1.1696423853
  O        -0.2276481096        1.2867433880        0.9344371749
  H         2.2976016094       -4.1705399828        1.2566694476
  B        -0.2319826277       -0.1201119171        0.9711770828
  H         0.2681321876       -2.8391617615        0.8408912739
  C         5.1013201143       -1.3137097627        4.4490277232
  O         2.4851179779        0.1844582150        4.2996510572
  C         5.0315049553        0.0871553694        4.6110826194
  B         1.3763795877        0.9147623919        4.1494097753
  C         6.3070020823        0.7160121623        4.6592461307
  O         1.3668350196        2.2592378795        4.0412313907
  C         7.5265530429       -0.0104514090        4.5765901812
  C        -0.0226413197        0.2119298317        4.1777447951
  C        -7.5505588277       -1.4401677341        4.5005743908
  C        -0.0713667359       -1.2433458578        4.4070285593
  C         6.2874147543       -2.0371004135        4.3758851959
  C        -1.2879357086       -1.8552746887        4.4544644553
  B        -6.2259493715       -2.2612548077        4.5780783535
  C        -2.4933195036       -1.1437075237        4.2076815061
  O        -5.1333196542       -1.4325654934        4.2902773645
  C        -2.4431791056        0.3031206465        4.0814779177
  B        -3.8704758952       -1.9689231736        4.3061874742
  C        -1.2538137443        0.9558954866        4.1150762058
  O        -3.7318427059       -3.3847142239        4.4823952488
  H        -1.1260919524        2.0502071445        4.0234046557
  B        -4.8364481505       -4.1516133076        4.4772848929
  H        -3.3940900870        0.8473888136        3.8569557714
  O        -6.1258142347       -3.6236534487        4.5487796159
  H         0.8766526080       -1.6991659974        4.4529258390
  C        -4.7647750446       -5.7451726437        4.3254133468
  H        -1.3875806394       -2.9157979900        4.5701975330
  C        -3.6530988827       -6.5116846476        4.8236740517
  H         4.6489706544        4.4767973715        5.2122902575
  C         3.8564793237        5.1697119124        4.8507576479
  H        -2.7564644673       -6.0095223393        5.1531728014
  C         2.6808401382        4.4868603883        4.4687318795
  H         0.6382750289        4.7348000741        3.6909955013
  C         1.5755542586        5.2746669664        3.9294002379
  H        -6.8079030867       -5.7919402428        3.8757083840
  C        -5.9203339798       -6.4001056207        4.0695186094
  H        -6.6764094992        0.5937022269        4.4075848964
  B         2.5747939296        2.8968527733        4.4872057062
  H         6.4095246277        1.8034540692        4.7474573717
  O         3.5780859763        2.1119365106        5.0801323607
  H        -8.9121791624       -3.1206343867        4.3665545534
  B         3.6790864943        0.8333938817        4.6348277368
  H         4.1894594375       -1.8279912169        4.2617488134
  C         2.9281060729       -1.4996767081        8.1003319283
  O         0.2878853386       -0.1610501773        7.8555012128
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  B        -0.9369673704        0.4716779020        7.7368672699
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  O        -0.9571317368        1.8203434390        7.4536394226
  C         5.2943659551       -0.1718587698        7.8576293414
  C        -2.3036794687       -0.2999850993        7.7258101754
  C         5.2859333802       -1.5219526504        7.9597160521
  C        -2.2725374551       -1.6592827888        7.7050963738
  C         4.0829729082       -2.2212241989        8.0845981077
  C        -3.4499126956       -2.3540960646        7.6945029402
  B        -8.5299769274       -2.3679398745        7.9917171482
  C        -4.6970549221       -1.6461458518        7.8806239184
  O        -7.2331789123       -1.7140548457        8.1443868415
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  B        -6.1005916108       -2.3869545358        7.9195941208
  C        -3.5000435916        0.4223233154        7.7521147431
  O        -6.1328195204       -3.7594204623        7.7469263297
  H        -3.4389146352        1.4879223278        7.5817581041
  B        -7.3086107757       -4.4646152225        7.7096661275
  H        -5.6463751112        0.2444731256        7.9392066092
  O        -8.5541869031       -3.7412953227        7.8067784986
  H        -1.3407320899       -2.2502074558        7.5516068266
  C        -7.3586641316       -6.0482962174        7.5975028987
  H        -3.4930764508       -3.4585734740        7.5571483788
  C         1.3540114381        6.2553533412        7.5167551085
  H         2.3065906085        4.3659131750        7.6455437551
  C         1.3175270417        4.8912036883        7.5902413915
  H        -5.2256344380       -6.3478601537        7.3843763414
  C         0.1194946958        4.1952806664        7.5546768783
  H        -2.0434662952        4.3357781038        7.5808244164
  C        -1.0831934453        4.9414590651        7.5649829396
  H        -9.5460175573       -6.2205029266        7.8159487882
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  H         6.2190039597        0.3685241218        7.7438749281
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  H         4.2453942195        1.6159170810        7.7135252334
  O         1.4600509640        1.9666679141        7.7397085501
  H         4.0570252794       -3.2690194902        8.2582768895
  B         1.5018789754        0.6276081821        7.8381628371
  H         2.0265062683       -2.1255111107        8.4089750511
  C         4.1655751623       -0.5149316613       -8.9088133190
  O         1.5788330584        0.9353000949       -8.6420456226
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  B         0.4483654077        1.6063309050       -9.0041121159
  C         5.3548533229        1.5874786462       -8.8404735573
  O         0.3959197822        2.9746762957       -9.2954273488
  C         6.5736774942        0.9436593953       -8.7928242761
  C        -0.9635502529        0.8477990748       -9.0794272136
  C         6.6144714354       -0.4199169179       -8.8920616134
  C        -1.0210864191       -0.5390098895       -9.2290922788
  C         5.4231193717       -1.1172224919       -9.0450266148
  C        -2.2277793741       -1.2976351792       -9.2456487216
  B        -7.2279984551       -1.2496278257       -9.0313652512
  C        -3.4330848896       -0.6892083220       -9.1007074426
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  C        -3.3991204111        0.7416014199       -9.0453601632
  B        -4.8181213687       -1.4210041172       -9.0931067885
  C        -2.2176005967        1.5039895090       -8.9928957892
  O        -4.9323632573       -2.7471861462       -9.2886884049
  H        -2.3337454061        2.5500069014       -8.9262199324
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  H        -4.3315728583        1.3467640941       -9.0100330169
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  H        -0.0372727589       -1.0098246174       -9.4570017217
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  H        -2.1524646387       -2.4409211136       -9.4563756579
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  H         3.5033761776        5.3495513059       -8.9287302823
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  H        -4.0364549200       -5.1764671195       -8.8627816687
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  H        -8.3636602465       -5.2046631129       -9.3226389987
  C        -7.3491364689       -5.7127611269       -9.2515792142
  H         7.4662267282        1.5137925390       -8.6585459346
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  H         5.2982750319        2.7073067651       -8.9034426214
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  X        -2.8223702411       -0.8823177375       -9.4326252100
  X         7.9319726003        1.6760920780       -3.1423662219
  X        -4.6422700743       -2.5668677649        1.3006151819
  X        -2.4492689635        4.9188402866        1.2124064808
  X        -5.7332641835       -3.8639459351       -5.7634352202
  X        -5.3583660530       -6.1750941994        4.4883653992
  X         5.8761321729        4.5652531664        7.0620049913
  X        -0.9881212623        5.6397672583        7.3027235233
  X         1.1156863679       -1.6280716938        1.1168312325
  X         4.7534971945        1.1515304359       -8.5127270055
  X        -6.2914939537       -1.6339519635        1.3657942384
  X        -5.6355658530       -1.9704420566       -5.3911744244
  X        -2.9607633131       -0.0461897414        7.4668087461
  X        -6.8629034084       -6.4821524485        7.2836335113
  X        -0.1492550906        3.8347831030       -2.2062984250
  X         4.6570315984        0.0588464315        8.1461107000
  X         6.8338544218        0.2452947702        4.3240571722
  X         1.4272478615        4.8473296834       -1.9341244619
  X         4.8940799828       -0.7509292552       -8.6809880276
  X         1.7002583418       -2.6083472241        1.4770503284
  X         3.6506703517        5.8829361833        5.0646426408
  X        -5.0237465077       -6.4029860007       -9.3204362698
  X        -0.1520850553        3.6289077163       -6.1884940088
  X         3.5567669382       -2.7350924904       -2.6477564814
  X        -4.0228020078       -2.6975422032       -1.9316781950
  X         3.1154671296       -1.9199903748       -5.6182297883
  X        -0.6882130501        0.5229524196        4.4278674767
  X        -3.9473137088       -0.7545212092       -2.6098449139
  X         2.9892617519       -3.8347420513       -6.1325221248
  X        -1.0673077497        0.1196780469       -8.8634772557
  X         0.5450725302       -5.8672947794       -1.4226914493
  X         6.0543645322        3.9578772120        7.3645736978
  X        -3.8157342550        4.1217506952        3.5842340066
  X         6.0577530348        3.3102971162        2.0221248150
  X         9.2700513513        3.6139452436       -5.2325036805
  X         2.5367014727       -5.5244510118        6.5799093468
  X         4.6949853400        6.2288484884       -6.1605816740
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0812607670        2.9670451055        5.4896758833
  C        -4.8514736543        3.6372701078        5.9955085115
  H        10.0069697860        4.6946329657        6.1555401620
  H        -4.6590794739        3.2215631162        6.9138372734
  C         8.7427102714        3.6514823392        4.2800387561
  H         7.9778543986        3.0772088645        3.8139877488
  H         8.4202297512        4.6967934391        4.4380493458
  C        -3.6572969383        3.6230363936        4.9790179664
  H        -3.2942712147        2.5258963973        4.9092362273
  H        -2.8105388030        4.1547215043        5.4954975740
  C        -5.2516255176        3.6062202283        3.2756820167
  H        -5.0274867712        2.5342708653        2.9639644243
  H         9.5972615463        4.1089737474        2.3238900791
  O        -4.0281443310        4.1934782525        3.7948260799
  O         5.8805672612        3.0666954363        2.1142559996
  C         4.5990120335        3.5877072279        1.8354440102
  H         3.6748540157        3.0323911666        2.1662237513
  H         4.5659556780        4.4943261865        2.4695647175
  C         6.2769388615        1.9868784183        1.2430165388
  H         7.3546799981        1.8017350255        1.4287046462
  H         5.7667129421        1.0666481082        1.5402005298
  C         4.4154219933        3.9681280258        0.4200977612
  H         4.9209597342        4.9061505030        0.2471832313
  H         3.3595076064        4.3056050236        0.2775816764
  C         6.0190331316        2.4121012901       -0.1992898840
  H         6.6316698030        3.1950609291       -0.6828267897
  H         6.0713730829        1.6027078211       -0.8952934192
  O         4.6783191868        2.9053770226       -0.4289285765
  O         5.7048961792        4.3406000060        7.1704434176
  C         6.6274394066        3.3156256396        7.5545968636
  H         5.9714356863        2.3971523753        7.7773833074
  H         7.2129269800        3.0438579147        6.6635948779
  C         5.0174216796        4.9370963901        8.2260829369
  H         4.5173377992        5.8181679965        7.8015398106
  H         4.1659832161        4.3385418405        8.5436679296
  C         7.4883914737        3.8011914500        8.7184528240
  H         8.0667182229        4.6662828846        8.5245524709
  H         8.1226383969        2.9982169175        9.0414305531
  C         5.9156896610        5.3144074469        9.4160194441
  H         6.6866488642        6.1678243576        9.1063084734
  H         5.3386092810        5.6179659419       -9.8642431491
  O         6.7191960458        4.2315535436        9.8344496099
  O         4.6254911032        5.9270404795       -6.1823450523
  C         5.8869532715        5.2507346056       -6.3951556822
  H         5.7368471842        4.1482034235       -6.3144645652
  H         6.2354222240        5.5342275067       -7.3819596479
  C         4.1071705337        5.5154847354       -4.9465001409
  H         3.0853364347        6.0171186909       -4.9761384044
  H         3.8268939308        4.4632531890       -4.7674221322
  C         6.8659672763        5.7377196602       -5.2433962261
  H        -0.6326950182       -6.2515178146       -5.2753667537
  H         7.9483682059        5.4672133673       -5.3023497154
  C         4.9717002268        5.9399244233       -3.7887953019
  H        -2.5681534057       -6.0059196927       -3.8629655033
  H         4.5827094006        5.6463173023       -2.8004589986
  O         6.2747262738        5.3644536437       -3.9900339533
  O         9.4624541967        3.3862925809       -5.2256625168
  C        -5.2101084021        3.2969874479       -3.7819214266
  H        -4.3771573782        2.5827414624       -3.8218918298
  H        -4.8593525205        4.3463683724       -3.6353264439
  C         8.7161135027        2.2769770076       -5.5765245787
  H         8.2817769480        2.5327341359       -6.5210137797
  H        -5.6856639126        1.3968620089       -5.7970050706
  C         8.7755810337        2.8697495498       -2.8440920363
  H         8.0830489896        3.7140508180       -2.6757266663
  H        -5.8299522114        2.6157904852       -1.8966545083
  C         7.6177088050        1.7757082173       -4.6145433662
  H         6.7887997836        2.4629896435       -4.5061712916
  H         7.2299422892        0.7903022635       -4.9097235851
  O         8.1484398432        1.7046197540       -3.3182044025
  O         0.1768649867       -5.3654871468        4.8653079946
  C         1.5754914193       -5.4731602173        4.4358450199
  H         1.9373440126       -6.4804496323        4.3418440891
  H         1.5084220074       -5.0053765291        3.5080827175
  C         0.0748663694       -5.8471268241        6.2289024152
  H        -0.9516423217       -5.5213433618        6.5612208325
  H         7.5943996186        6.1274521440        6.3062562327
  C         2.5095922464       -4.6233607929        5.3859774275
  H         2.2453382485       -3.6091568922        5.4832385185
  H         3.5152040662       -4.7241772127        5.0669282422
  C         1.1560489596       -5.1524414807        7.1313818253
  H         0.9809106070       -4.0779981326        7.3081235464
  H         1.0846944511       -5.7009733346        8.1178005160
  O         2.4810254029       -5.2237144797        6.6495898233
  O         1.6742455896       -6.2851599289        0.0134436615
  C         8.1029151614        6.5291861263        0.9624837494
  H         7.9245032718        5.3785101339        0.9643853872
  H         0.9241718883       -6.1559712755        1.9921785423
  C         1.1318902931       -6.3362128620       -1.3503264632
  H         1.9295611177       -6.0359118179       -2.0098425877
  H         8.2994220750        5.7033182921       -1.6001151633
  C        -0.7325491376       -5.7484751854        0.7289195341
  H        -0.5709829837       -4.7034658194        1.0367748816
  H        -1.5757705722       -6.1398521628        1.3001713686
  C        -0.0329491714       -5.3780512053       -1.5181653031
  H         0.3085001449       -4.3763085797       -1.1686517390
  H        -0.3534392171       -5.3992226764       -2.5795789537
  O        -1.1962281961       -5.7428436595       -0.6797345470
  C         1.1344200133       -2.3302605663        1.1125168176
  O        -1.4467484620       -0.7986003396        0.7801872616
  C         1.0924244959       -0.9331538422        1.1073027026
  B        -2.6487441001       -0.0821082912        0.9509926302
  C         2.2797444406       -0.2466193513        1.1977645789
  O        -2.6665427731        1.3237805996        0.9308789520
  C         3.4739916800       -0.9547778289        1.1356283002
  C        -3.9896335088       -0.8849615470        1.1465171297
  C         3.5417571421       -2.3809442221        1.2494037906
  C        -3.9676398173       -2.3103099481        1.0018653789
  C         2.2669579633       -3.0679136432        1.2514136607
  C        -5.1619325742       -2.9750951169        0.9501270615
  B         4.9256297433       -3.1469489311        1.2664627059
  C        -6.3881975019       -2.2709002044        0.9882985025
  O         6.1034933450       -2.3983321449        0.9532988851
  C        -6.3992861459       -0.8573928142        1.1942109311
  B        -7.7667375947       -3.0536972085        1.0447980856
  C        -5.1805993369       -0.1964553160        1.2735417900
  O        -7.6702883342       -4.4395534814        1.2293842431
  H        -5.1460520178        0.8506332175        1.4791863168
  B        -8.8891550947       -5.1967768723        1.3671276839
  H        -7.3254317037       -0.2573790852        1.3244628952
  O       -10.0628612364       -4.5036615070        1.6159329427
  H        -2.9533251235       -2.7289919216        1.0262489696
  C        -1.3825833762        6.3600203263        1.0840766775
  H        -5.2369638521       -4.0255612532        0.7635056256
  C        -0.1929929164        5.6014363888        1.0260312971
  H         0.6620460223        3.5650573943        0.8833679242
  C        -0.2214629795        4.2369078612        0.8496996305
  H         0.7962200997        6.0351823734        1.1184049684
  C        -1.4162228974        3.4993896156        0.7554350373
  H        -3.6118642611        3.8286835890        0.7842862527
  C        -2.6315354207        4.2833885926        0.8593368791
  H        -3.5442920260        6.1507948588        1.1096638334
  C        -2.5616251368        5.6644899895        1.0182169026
  H         4.3595893517       -0.3274224880        0.9901626922
  B        -1.4552721067        1.9751822005        0.7661232301
  H         2.2775203446        0.8556686320        1.1292855438
  O        -0.2182906456        1.2930021587        0.9262037885
  H         2.2731891317       -4.1632540570        1.2550342928
  B        -0.2368813593       -0.1107794129        0.9537813221
  H         0.1460359203       -2.8516652127        0.8456312840
  C         5.1013031399       -1.3140755103        4.4543440542
  O         2.5023724548        0.1861988647        4.2894709252
  C         5.0369884504        0.0776208360        4.6142550032
  B         1.3667091942        0.9331422499        4.1498445087
  C         6.3109038997        0.7185927966        4.6581155177
  O         1.3557390714        2.2594614691        4.0418614790
  C        -7.5518435448       -0.0293912384        4.5733891611
  C        -0.0321898330        0.1849175749        4.1931325177
  C        -7.5377389352       -1.4454467461        4.4842994380
  C        -0.0811745499       -1.2371361486        4.3920004006
  C         6.2534301375       -2.0456969891        4.3830436575
  C        -1.3047511992       -1.8649499721        4.4330837606
  B        -6.2159616175       -2.2318681813        4.5801912504
  C        -2.4768629878       -1.1259357464        4.2002254660
  O        -5.1411404376       -1.4137928049        4.2966327012
  C        -2.4753909707        0.3025102529        4.0719876675
  B        -3.8714027541       -1.9543068028        4.3309384365
  C        -1.2542895695        0.9531255209        4.1313777103
  O        -3.7317354161       -3.3974271648        4.4786571412
  H        -1.1015872845        2.0284967920        4.0365604529
  B        -4.8439661516       -4.1679129434        4.4814863385
  H        -3.3862106603        0.8232358945        3.7779040909
  O        -6.1232459649       -3.6255752606        4.5320307853
  H         0.8699525035       -1.6683649301        4.4792250281
  C        -4.7554862260       -5.7375963907        4.3112773094
  H        -1.4185879199       -2.9586540379        4.5223244770
  C        -3.6605636581       -6.4996173674        4.8212518729
  H         4.6633648443        4.4516696755        5.1713291823
  C         3.8533614321        5.1693925345        4.8529365952
  H        -2.8098118201       -5.9559012090        5.2091860349
  C         2.6753973411        4.4997141222        4.4714796648
  H         0.6250028681        4.7253717383        3.7533672609
  C         1.5776304202        5.2821226684        3.9342464251
  H        -6.7915236719       -5.8162582285        3.8573711400
  C        -5.9357450940       -6.3837284802        4.0677243122
  H        -6.6271576060        0.5806648139        4.4361538822
  B         2.5710385700        2.8930218894        4.5101612993
  H         6.4330868945        1.8401208005        4.6642556744
  O         3.5843666175        2.1034141018        5.0874069387
  H        -8.9215066651       -3.1374261900        4.3715112929
  B         3.6709864730        0.8333537717        4.6344250126
  H         4.1709415930       -1.8825609276        4.2995790415
  C         2.9130828787       -1.4904690682        8.0956031339
  O         0.2875435930       -0.1694658506        7.8501639471
  C         2.8548130727       -0.1080936441        7.9634262951
  B        -0.9345813010        0.4676063992        7.7508674783
  C         4.1254362978        0.5234234653        7.8354303742
  O        -0.9618829866        1.8205628178        7.4613232517
  C         5.2931456553       -0.1650596062        7.8604066875
  C        -2.3026680141       -0.3059705482        7.7250924917
  C         5.2826143958       -1.5387437193        7.9510902241
  C        -2.2916191456       -1.6632132600        7.6866268906
  C         4.0760804837       -2.2179307530        8.0784390780
  C        -3.4466929077       -2.3734791856        7.6889357928
  B        -8.5437920789       -2.3465854567        8.0070668969
  C        -4.7141603514       -1.6379429105        7.8637782712
  O        -7.2039810365       -1.7083762931        8.1554545836
  C        -4.7087099296       -0.2621421652        7.8217418017
  B        -6.0986712057       -2.3946166175        7.9280458923
  C        -3.5110854632        0.4213490515        7.7538097865
  O        -6.1265446269       -3.7625938965        7.7447725547
  H        -3.4524196176        1.4662909565        7.5743321281
  B        -7.3067048488       -4.4636217198        7.6971847379
  H        -5.6741886815        0.2657741763        7.9408573706
  O        -8.5537103683       -3.7191852585        7.8143687659
  H        -1.3545893215       -2.2403958418        7.5989847265
  C        -7.3540137835       -6.0227130772        7.5955749726
  H        -3.4341072690       -3.4405513596        7.5318044235
  C         1.3516353006        6.2650855339        7.5122134787
  H         2.3305425391        4.4453269587        7.6912350705
  C         1.3274196789        4.8796861484        7.5690519087
  H        -5.1606070900       -6.3758981075        7.3325284582
  C         0.1128582561        4.1903263853        7.5662817767
  H        -1.9835579397        4.2982230923        7.5187933719
  C        -1.0927872770        4.9400509410        7.5509965918
  H        -9.5431448540       -6.2481396626        7.7219020447
  C        -1.0745882853        6.3148115834        7.6355338544
  H         6.1637533791        0.3624943390        7.6809464315
  B         0.2185412116        2.5799425923        7.5941507099
  H         4.2183608208        1.6189092643        7.7728546529
  O         1.4605752667        1.9691733790        7.7272652220
  H         4.0684885514       -3.2625686235        8.3160924014
  B         1.5123692390        0.6025917107        7.8347766773
  H         2.0597483180       -2.0704475684        8.4314471737
  C         4.1619764636       -0.5123960137       -8.9028852625
  O         1.5811975502        0.9161682613       -8.6369177141
  C         4.1305604681        0.9134170758       -8.7355498297
  B         0.4313901122        1.6136899388       -9.0059426711
  C         5.3649145143        1.5965457862       -8.8388050558
  O         0.4033222126        2.9848193328       -9.2970463252
  C         6.5771017490        0.9396683001       -8.7812348515
  C        -0.9691795267        0.8493037591       -9.0757335420
  C         6.6199164135       -0.4305626873       -8.8818161855
  C        -1.0113875552       -0.5241661103       -9.2321414570
  C         5.4279984113       -1.1353483639       -9.0167475536
  C        -2.1984885474       -1.2932355757       -9.2518137081
  B        -7.2402124718       -1.2342060992       -9.0289572240
  C        -3.4256725414       -0.6733638465       -9.0965385306
  O        -5.9906523101       -0.7021602969       -8.9546228078
  C        -3.4115568922        0.7580281328       -9.0278169759
  B        -4.8183976076       -1.4287564087       -9.0875270525
  C        -2.2313275938        1.4795370337       -8.9863565127
  O        -4.9333632781       -2.7490315497       -9.2933438713
  H        -2.3165505770        2.5830816873       -8.9287312344
  B        -6.1295308487       -3.4240427411       -9.1909056560
  H        -4.3838928080        1.3776216891       -8.9547397898
  O        -7.2693441470       -2.6001984084       -9.0612385429
  H        -0.0731983172       -0.9729678628       -9.5070549731
  C        -6.1872858995       -4.9715612002       -9.1653329930
  H        -2.1207283951       -2.3818051619       -9.5205350615
  C        -4.9507197535       -5.6963766569       -9.0163209654
  H         3.5164788337        5.3881478436       -8.9015163517
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  H        -4.0799767750       -5.0944706414       -8.8468528837
  C         1.4398592427        5.2333245201       -9.1938165747
  H        -0.7009074189        5.2936190369       -9.2512692680
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  H        -8.3011055951       -5.2064912667       -9.3192026589
  C        -7.3539838448       -5.7231155978       -9.2536398314
  H         7.5021339551        1.5139064799       -8.6895566387
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  X         4.6440184968        0.0373614167        7.5828880769
  X         1.7489658475       -5.9897292605        0.0543593489
  X         4.8654736872       -0.6794011620       -9.2359010652
  X        -4.6451694849       -0.5893850984        0.9166473401
  X         8.3787127207        1.5082194725       -3.3317565488
  X         2.7547527500       -0.7430741953        0.8825617560
  X         6.5227027697        4.0101241843        9.9017784173
  X        -5.6500160175       -1.9695181560       -5.3932928603
  X         0.6690748823        4.6160308102        7.8526072638
  X         1.3324081392        5.5740597641        7.5332952357
  X        -0.6919559401        0.4232112714        3.8886399329
  X        -5.7284911945       -3.7989929528       -6.3261478093
  X        -0.1396640357        3.8124626446       -2.7624927038
  X         4.7410933971        1.1462001668       -9.0663939830
  X         4.6015473650       -0.8191052060       -2.6564138537
  X        -2.4415937297        4.9316502628        1.2173458539
  X        -7.6316228520       -0.7447309195        4.2544298270
  X         5.6907342969        0.3152360479        4.3443298324
  X        -2.9402055114       -0.0216764387        8.0219666704
  X         0.8826362867        5.6226373377       -9.4663459528
  X        -6.2980652663       -1.5299339606        0.8100429956
  X        -1.1072691408        0.2382368646       -9.4192091650
  X         1.5538888085        4.8626107842       -2.4874697988
  X        -0.2169994516        3.7386244113       -5.6271546654
  X        -4.3911321272       -6.2091952067        4.8024891834
  X        -6.7356428568       -5.3881049239       -8.9223796504
  X         3.1175431568       -1.9256423088       -5.6168632708
  X        -0.7586817015       -1.4783540837        4.1042573766
  X         3.0547196345       -3.8475696936       -5.5622586479
  X        -2.7688376026        1.0199673413       -9.3145661199
  X        -4.4917184472       -1.7870784745       -2.6460812981
  X        -2.8965968284       -2.6464516337       -2.4453438474
  X        -1.2588632451       -6.0369096436       -0.7467198083
  X         5.8810541239        4.5667368526        7.0716543736
  X         4.6092766463        3.3288017887       -0.0911698524
  X         9.2677803224        3.6245310306       -5.2437466447
  X        -4.4966639225        3.9427240445        3.6258207612
  X         0.6273565158       -5.4974321945        6.6651317539
  X         4.4362527138        5.8211694373       -6.3924997730
     890
 Particles+Wannier centers. Iteration:1_0
  O         9.0799740481        2.9586434145        5.5093944812
  C        -4.8519740275        3.6605817050        6.0025056732
  H        10.0043693317        4.6765035892        6.1256773132
  H        -4.6377077558        3.2097956987        6.9723334956
  C         8.7527160522        3.6228441781        4.2802137478
  H         7.9546439449        3.1585066900        3.7913455012
  H         8.4463003125        4.6454452486        4.4213830090
  C        -3.6576100381        3.6278581244        4.9849566880
  H        -3.2749042095        2.5329400034        4.8551142302
  H        -2.8238698856        4.1588742120        5.4840013986
  C        -5.2527016780        3.6073287865        3.2691878545
  H        -5.0469369478        2.5681539242        2.9596208068
  H         9.6323571152        4.1442236858        2.3708184899
  O        -4.0296841849        4.1951990119        3.8051641430
  O         5.8833458629        3.0478375339        2.1235064552
  C         4.5962417894        3.5783724018        1.8501960591
  H         3.6348325210        3.0214825143        2.1893001809
  H         4.5689220371        4.4775606146        2.4379372312
  C         6.2722342912        1.9854840976        1.2515758018
  H         7.3169440650        1.8214390850        1.3555155404
  H         5.7298670667        1.0632040993        1.5335368259
  C         4.4030072261        3.9768407985        0.4086222723
  H         5.0028359055        4.9103762290        0.2580024085
  H         3.3627623023        4.2659549718        0.2869198751
  C         6.0165295863        2.4361437863       -0.1989543853
  H         6.6225432707        3.2242933238       -0.6285523703
  H         6.0332009555        1.6463194839       -0.9444686049
  O         4.6646784042        2.8946384526       -0.4256441424
  O         5.7069476083        4.3470681530        7.1692206246
  C         6.6272771908        3.3087558285        7.5399243263
  H         6.0586963399        2.3542518166        7.8386616193
  H         7.2099725011        3.0443033568        6.6176895877
  C         5.0214872069        4.9378026841        8.2323390617
  H         4.5041287077        5.8633351519        7.7907892082
  H         4.1441301571        4.3352800611        8.5580580461
  C         7.5066112121        3.8151693948        8.7121225197
  H         8.1053897053        4.7287018786        8.4627667511
  H         8.1597854619        2.9829709336        9.0065320389
  C         5.9089982877        5.3123757074        9.4229930124
  H         6.6458333140        6.1707941398        9.1163087978
  H         5.3401822328        5.6206324128       -9.8772353194
  O         6.7300571432        4.2272641895        9.8502890995
  O         4.6270671778        5.9132642818       -6.1556967208
  C         5.8869292305        5.2415043013       -6.3952667043
  H         5.7668528609        4.1561716452       -6.3667939722
  H         6.2921467867        5.4974847971       -7.3678725272
  C         4.1068491912        5.5074080525       -4.9294064693
  H         3.0928522210        5.9933784169       -4.9835082646
  H         3.8586287897        4.4532731634       -4.8142242525
  C         6.8911455509        5.7369673964       -5.2396629991
  H        -0.6448073218       -6.2384662144       -5.2449812785
  H         7.9766333104        5.4513506659       -5.3129125944
  C         4.9786359215        5.9507708863       -3.7878156915
  H        -2.5899623246       -5.9938778658       -3.8482281914
  H         4.5969122313        5.6473859136       -2.7566930626
  O         6.2730142086        5.3591531812       -3.9685140059
  O         9.4537879698        3.3953258892       -5.2229638873
  C        -5.2443203993        3.2865273832       -3.7778217752
  H        -4.3873861018        2.5119268886       -3.8296202792
  H        -4.8449004297        4.3055902291       -3.5610165173
  C         8.7171401274        2.2674376168       -5.5688248809
  H         8.2001801543        2.5485574048       -6.4492970145
  H        -5.6345440763        1.4614243488       -5.7878910561
  C         8.7835578698        2.8720626571       -2.8542971862
  H         8.0579000130        3.6663935862       -2.6374851790
  H        -5.8280339538        2.6229634516       -1.8554646770
  C         7.6203644665        1.7855162759       -4.6098174587
  H         6.7628529269        2.4862448198       -4.5332114543
  H         7.2499009865        0.7632083560       -4.8785400637
  O         8.1355132909        1.6865022419       -3.3094997227
  O         0.1648720742       -5.3677749338        4.8735892418
  C         1.5854782337       -5.4634118963        4.4421319276
  H         1.8817312485       -6.5375385344        4.3920573103
  H         1.4863607895       -4.8963723413        3.5045100690
  C         0.0747327820       -5.8246021756        6.2213944988
  H        -0.8943059589       -5.5714272892        6.5696102345
  H         7.6222355601        6.1252697010        6.2901640563
  C         2.4970101081       -4.6285026590        5.3684838717
  H         2.3238031562       -3.5557906088        5.4249393193
  H         3.5649454445       -4.6591395425        4.9575631345
  C         1.1805774250       -5.1649828642        7.1385123614
  H         0.9182353207       -4.0642670110        7.3412219703
  H         1.1225410966       -5.6959616883        8.1514544874
  O         2.4872044441       -5.2192582404        6.6699195260
  O         1.6731021219       -6.2876023232        0.0152713456
  C         8.1014150653        6.5122762891        0.9477430446
  H         7.9044877719        5.4389345554        0.9411547809
  H         0.9276085626       -6.2325254447        1.8957547248
  C         1.1339770887       -6.3246072115       -1.3632942785
  H         1.9463627702       -6.0288112463       -2.0710840329
  H         8.4321137101        5.6807984642       -1.5897110416
  C        -0.7217202649       -5.7566032132        0.7382809595
  H        -0.6151374621       -4.7018717140        1.0180398173
  H        -1.6132847380       -6.2085347117        1.3159070006
  C        -0.0259080812       -5.3604579983       -1.5018686178
  H         0.3611872615       -4.3503233880       -1.2556567523
  H        -0.3257520970       -5.3919574720       -2.5925475041
  O        -1.2091546345       -5.7388411694       -0.6751787264
  C         1.1131514812       -2.3343337540        1.1103295113
  O        -1.4463745386       -0.8039561673        0.7630990218
  C         1.0791012374       -0.9357624681        1.0972638413
  B        -2.6417854213       -0.0877115752        0.9325940625
  C         2.2866074161       -0.2549931716        1.1748733634
  O        -2.6607277979        1.3265402562        0.9248017975
  C         3.4577332489       -0.9434936474        1.1397347993
  C        -3.9887767389       -0.8826774132        1.1477601346
  C         3.5276025389       -2.3826925891        1.2530261827
  C        -3.9652567755       -2.3023155773        0.9841766148
  C         2.2763617684       -3.0733469860        1.2465761398
  C        -5.1420135102       -2.9668640265        0.9570531005
  B         4.9348211325       -3.1214900738        1.2746841340
  C        -6.3943233656       -2.2737671328        0.9816003491
  O         6.1250603921       -2.4109448522        0.9341977665
  C        -6.4001608629       -0.8575683814        1.1966093496
  B        -7.7711123587       -3.0674015500        1.0465711391
  C        -5.1878619458       -0.1930131104        1.2654464450
  O        -7.6719688668       -4.4497167810        1.2281933869
  H        -5.0985291527        0.8581808598        1.4879771723
  B        -8.8875751046       -5.1713629149        1.3802492777
  H        -7.2577752015       -0.2152615278        1.3623438990
  O       -10.0626023815       -4.5137710016        1.6247172704
  H        -2.9942284768       -2.8095738379        1.0444205523
  C        -1.3783204393        6.3776027558        1.0921007174
  H        -5.2159564393       -4.0204132027        0.7328566600
  C        -0.2019889574        5.6254059735        1.0152422704
  H         0.6632628599        3.5907772301        0.8577868090
  C        -0.2085945250        4.2112374509        0.8414771325
  H         0.8164751569        6.0681302917        1.0618669424
  C        -1.4359632867        3.5156164746        0.7507624638
  H        -3.6342154106        3.7752049517        0.8194742878
  C        -2.6140755747        4.2766864912        0.8659058918
  H        -3.5510723693        6.1733595610        1.0687400265
  C        -2.5735375455        5.6858220977        1.0200809080
  H         4.3364889215       -0.3561540216        0.9726498835
  B        -1.4447015845        1.9780618534        0.7712523490
  H         2.2505929668        0.8086025246        1.0954116278
  O        -0.2121814297        1.2974793390        0.9172902156
  H         2.2427088860       -4.1471917944        1.2509195214
  B        -0.2437827117       -0.1045977875        0.9347047125
  H         0.0889166564       -2.8389042036        0.8902686180
  C         5.0941943910       -1.3150589342        4.4567565075
  O         2.5225425349        0.1867520536        4.2794225608
  C         5.0499757629        0.0707212715        4.6152399350
  B         1.3452289133        0.9382728546        4.1511824966
  C         6.3182341437        0.7222417422        4.6565473010
  O         1.3523390065        2.2701669988        4.0424694736
  C        -7.5347924197       -0.0428830750        4.5688250887
  C        -0.0442771957        0.1558703615        4.2125570609
  C        -7.5368214654       -1.4484892408        4.4715389643
  C        -0.0935046040       -1.2196664095        4.3744790763
  C         6.2278706550       -2.0566372815        4.3927863393
  C        -1.3232142846       -1.8774505544        4.4086276587
  B        -6.2111548940       -2.2017684772        4.5704222648
  C        -2.4704750788       -1.1082122387        4.1959266381
  O        -5.1429565253       -1.3962100425        4.3055366387
  C        -2.5057815306        0.2953432247        4.0605009167
  B        -3.8637689508       -1.9442332330        4.3547669804
  C        -1.2472752365        0.9463036503        4.1440752382
  O        -3.7314821506       -3.4039398408        4.4765692754
  H        -1.1016187230        2.0148496707        4.0414500681
  B        -4.8510392316       -4.1912399526        4.4835167490
  H        -3.3854291037        0.7982369636        3.7211315803
  O        -6.1211856958       -3.6250477115        4.5179258796
  H         0.9164074469       -1.7077492400        4.5117741139
  C        -4.7413395881       -5.7235554044        4.3090329307
  H        -1.4331789224       -2.9829521132        4.4838739928
  C        -3.6674802497       -6.4894252641        4.8144974426
  H         4.6589088806        4.5063725606        5.1365877635
  C         3.8492315405        5.1654670583        4.8568117486
  H        -2.8367858751       -5.8988881298        5.2511144021
  C         2.6642176441        4.5104121960        4.4672780203
  H         0.6408783715        4.7484218417        3.8043736585
  C         1.5787484288        5.2861728757        3.9483281292
  H        -6.8354330249       -5.8028635136        3.8135911612
  C        -5.9520304460       -6.3786125149        4.0602987874
  H        -6.5998517698        0.5316330221        4.4997936081
  B         2.5624472529        2.8930529296        4.5376219416
  H         6.4293795897        1.8195283675        4.5845316128
  O         3.5885455677        2.1027634070        5.0933159564
  H        -8.9298901598       -3.1551470180        4.3690604443
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  H         4.1472106162       -1.9225612532        4.3493606837
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  O        -0.9627247007        1.8246684800        7.4714603801
  C         5.2899421993       -0.1610019137        7.8604924424
  C        -2.2968969093       -0.2995700638        7.7238799150
  C         5.2817964279       -1.5583784590        7.9437745437
  C        -2.3050525307       -1.6779861907        7.6669452076
  C         4.0703557162       -2.2121262047        8.0744829288
  C        -3.4571235719       -2.3878311633        7.6847891926
  B        -8.5415972864       -2.3282950351        8.0189610025
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  O        -7.1876637211       -1.7002709784        8.1672462452
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  O        -6.1202734924       -3.7692821914        7.7416219410
  H        -3.4740558068        1.4932701261        7.5783679296
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  H        -5.6800508738        0.2853400314        7.9305645699
  O        -8.5504899902       -3.6992874079        7.8205388526
  H        -1.3709622608       -2.2098240824        7.6511099678
  C        -7.3554495286       -6.0019964718        7.5930272336
  H        -3.3871610592       -3.4468787697        7.5224963867
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  H         2.3219214604        4.4983272109        7.7174646962
  C         1.3403474392        4.8703164282        7.5504214256
  H        -5.1707485198       -6.4050343230        7.3084653723
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  H        -1.9379863527        4.2947411503        7.4631145483
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  H        -9.5887738713       -6.2336521438        7.6288647962
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  H         4.1596190274        1.6083358513        7.8198740597
  O         1.4581942915        1.9737276781        7.7131351953
  H         4.0787723733       -3.2886660757        8.3619462669
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  H         2.0478724659       -2.0085436177        8.4277600995
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  O         1.5842580220        0.9034119577       -8.6344179399
  C         4.1464272436        0.9000020512       -8.7460714384
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  C         5.3683752588        1.6064140267       -8.8346520934
  O         0.4103319377        2.9905289954       -9.2987659852
  C         6.5820164424        0.9425167973       -8.7704516268
  C        -0.9756964743        0.8539035150       -9.0699585543
  C         6.6198720404       -0.4424248368       -8.8730782273
  C        -1.0016171227       -0.5133654091       -9.2371280726
  C         5.4252042303       -1.1550013952       -8.9856645955
  C        -2.1637439578       -1.2908545924       -9.2592865170
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  O        -5.9963974966       -0.6984214217       -8.9526648560
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  H        -4.3671548620        1.3462738513       -8.9065270129
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  H        -4.0890413793       -5.0052246550       -8.8307201419
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