    18
 Energy=    -45.1333906478867
O             1.6251223640       -0.1911619307        2.1327419400
O             1.2896373810        1.5129761530       -0.0793153701
O             1.6017337510       -0.5958063601       -1.9564454240
O            -1.4337392440        1.3403689350       -0.1333423029
O            -1.1441223560       -1.1397607680       -1.4154655570
O            -0.9923293841       -0.9907484389        1.4879001770
H             1.7667075680       -0.1501641152        3.0802851660
H             0.7294514571       -0.5843277683        2.0129147470
H             1.5514309610        0.9114040681       -0.8107844436
H             1.5497525390        1.0379133840        0.7428132772
H             2.1596070060       -1.3176464550       -1.6566657540
H             0.6805645630       -0.9145640263       -1.8505545620
H            -1.8838277510        2.1896732470       -0.1581958706
H            -0.4538966662        1.5387858290       -0.1110490075
H            -1.3706304520       -0.2328398909       -1.0931601090
H            -1.8711267950       -1.4139663930       -1.9829271680
H            -1.3176217000       -0.1030383577        1.2415266310
H            -0.9907060454       -1.4705932970        0.6405843989
    18
 Energy=    -45.1322887599307
O             1.6331289420       -0.1972567214        2.1226314210
O             1.2854021270        1.5190500620       -0.0797902330
O             1.6039034460       -0.6005501782       -1.9429061030
O            -1.4380977900        1.3418832860       -0.1356693122
O            -1.1467371650       -1.1372097500       -1.4182390540
O            -0.9874856762       -0.9911099261        1.4829457430
H             1.7813416030       -0.1689357240        3.0696245170
H             0.7368741110       -0.5897269051        2.0037665740
H             1.5467284610        0.9177000965       -0.8115853391
H             1.5487273400        1.0438366600        0.7411281213
H             2.1535470030       -1.3157381260       -1.6129180950
H             0.6799801987       -0.9136581199       -1.8443696500
H            -1.8900045820        2.1901129050       -0.1646124740
H            -0.4586399025        1.5423215740       -0.1140469763
H            -1.3755979800       -0.2308839479       -1.0957356520
H            -1.8735092830       -1.4140958400       -1.9847365670
H            -1.3137595600       -0.1022847215        1.2421089550
H            -0.9897940966       -1.4669508090        0.6332648914
    18
 Energy=    -45.1311967110157
O             1.6387743730       -0.2058911233        2.1091723830
O             1.2820184180        1.5237406350       -0.0778838286
O             1.6048384010       -0.6034136267       -1.9339786780
O            -1.4414554680        1.3441157040       -0.1380693125
O            -1.1477319640       -1.1375037330       -1.4172761110
O            -0.9873955941       -0.9883459793        1.4817334450
H             1.7954059160       -0.1849110724        3.0550034950
H             0.7388666139       -0.5912802976        1.9951005760
H             1.5424543010        0.9232774374       -0.8106209044
H             1.5462870050        1.0464348640        0.7415576842
H             2.1544384250       -1.3079649960       -1.5816841110
H             0.6814759502       -0.9185486689       -1.8377451250
H            -1.8932971470        2.1921691750       -0.1712155190
H            -0.4622527218        1.5449317290       -0.1140334887
H            -1.3752783480       -0.2300742689       -1.0970966690
H            -1.8736147750       -1.4136138940       -1.9852356680
H            -1.3166409080       -0.1008578846        1.2402286060
H            -0.9908852819       -1.4657601850        0.6329039930
    18
 Energy=    -45.1290524710676
O             1.6391768900       -0.2065365603        2.0909930440
O             1.2811701790        1.5312136380       -0.0899575437
O             1.6105564220       -0.6159147310       -1.9208915550
O            -1.4418051840        1.3436423780       -0.1326235284
O            -1.1493927550       -1.1352808600       -1.4177953090
O            -0.9892904715       -0.9927834055        1.4806991650
H             1.8022701050       -0.1911655338        3.0359410800
H             0.7388879004       -0.5924922219        1.9810724750
H             1.5408828890        0.9300724103       -0.8223570532
H             1.5454602290        1.0531815620        0.7289921991
H             2.1509755250       -1.3068218260       -1.5293265660
H             0.6845069040       -0.9239659165       -1.8274363320
H            -1.8973386280        2.1904517010       -0.1435594443
H            -0.4631542645        1.5478704770       -0.1141378515
H            -1.3782295680       -0.2287400593       -1.0961283350
H            -1.8632342720       -1.4020464900       -2.0051839380
H            -1.3158852420       -0.1038503621        1.2406248430
H            -0.9995494624       -1.4703303850        0.6319354196
    18
 Energy=    -45.1268117645361
O             1.6377971950       -0.2033315565        2.0855916660
O             1.2785003020        1.5323263390       -0.0974425664
O             1.6166320830       -0.6261779060       -1.9175758640
O            -1.4440274760        1.3434852810       -0.1210747016
O            -1.1446491910       -1.1260215850       -1.4229874380
O            -0.9901385486       -1.0007287490        1.4772757590
H             1.8014329830       -0.1828874476        3.0303440530
H             0.7391455718       -0.5934832061        1.9776446140
H             1.5399907280        0.9310135795       -0.8289628993
H             1.5435096820        1.0554672160        0.7219254735
H             2.1497176740       -1.3149841400       -1.5126849660
H             0.6881106029       -0.9278265400       -1.8278091710
H            -1.9000935960        2.1898662940       -0.1370793819
H            -0.4654133280        1.5483083850       -0.1076075822
H            -1.3712337980       -0.2217316044       -1.0935360430
H            -1.8653128570       -1.3907062530       -2.0029331510
H            -1.3193105700       -0.1115920380        1.2413035750
H            -0.9986502612       -1.4744922540        0.6264693924
    18
 Energy=    -45.1254876857491
O             1.6380662590       -0.2057700667        2.0827196390
O             1.2779246120        1.5296424670       -0.0987949242
O             1.6220935980       -0.6280123134       -1.9183225130
O            -1.4460475680        1.3437727000       -0.1169756411
O            -1.1444611210       -1.1235778920       -1.4237123150
O            -0.9893530393       -1.0008350110        1.4784962890
H             1.7992918730       -0.1771672305        3.0276706930
H             0.7386024949       -0.5942022127        1.9766675060
H             1.5399867900        0.9285071423       -0.8302409919
H             1.5430214850        1.0526519150        0.7206133606
H             2.1500567150       -1.3172222880       -1.5068000340
H             0.6919432907       -0.9261529376       -1.8336350250
H            -1.9032182150        2.1894012080       -0.1348586316
H            -0.4677232105        1.5495640160       -0.1060704644
H            -1.3698509800       -0.2191810219       -1.0942174370
H            -1.8669615270       -1.3879039100       -2.0014436770
H            -1.3208807620       -0.1125740524        1.2421856900
H            -0.9964834974       -1.4744366970        0.6275792450
    18
 Energy=    -45.1229230314200
O             1.6395999850       -0.2065285491        2.0809092200
O             1.2779733510        1.5286031020       -0.1006923342
O             1.6229459680       -0.6305435555       -1.9122712160
O            -1.4463441310        1.3454432580       -0.1167482982
O            -1.1480029640       -1.1196116300       -1.4281735350
O            -0.9855532302       -1.0055738420        1.4749853020
H             1.7958317570       -0.1655856761        3.0263881770
H             0.7414266425       -0.5984835706        1.9738367090
H             1.5414717810        0.9229962005       -0.8283690709
H             1.5405941360        1.0550552050        0.7212637106
H             2.1498999630       -1.3199802130       -1.5005731870
H             0.6921594356       -0.9266766714       -1.8283742050
H            -1.9046952900        2.1904778740       -0.1294046578
H            -0.4681282982        1.5517520000       -0.1075870729
H            -1.3747000660       -0.2169697321       -1.0945952220
H            -1.8722633880       -1.3840976310       -2.0038259060
H            -1.3150053400       -0.1161643445        1.2407103490
H            -0.9912031150       -1.4776084090        0.6233820051
    18
 Energy=    -45.1174045925031
O             1.6466502040       -0.2140077201        2.0827558970
O             1.2751697550        1.5211060640       -0.1001224050
O             1.6229723010       -0.6337134710       -1.9153762560
O            -1.4491242120        1.3473674850       -0.1136083400
O            -1.1476536650       -1.1163940660       -1.4353695600
O            -0.9775097629       -1.0053163180        1.4714393220
H             1.7874195610       -0.1456071640        3.0298162080
H             0.7474969994       -0.6016062841        1.9738274100
H             1.5381078700        0.9172371940       -0.8294008541
H             1.5391479220        1.0471913010        0.7213655046
H             2.1457296500       -1.3172304260       -1.4881517860
H             0.6906931616       -0.9265871528       -1.8317974970
H            -1.9042655800        2.1943236290       -0.1180761453
H            -0.4704577437        1.5515839480       -0.1097345645
H            -1.3786622180       -0.2167192928       -1.0972327080
H            -1.8730370760       -1.3840365470       -2.0082568520
H            -1.3104219610       -0.1161917533        1.2407134060
H            -0.9862480092       -1.4748956110        0.6180699887
    18
 Energy=    -45.1088692614725
O             1.6575657700       -0.2166352572        2.0893619080
O             1.2718004890        1.5158158950       -0.0968859197
O             1.6181395170       -0.6403842551       -1.9107701060
O            -1.4508387710        1.3476062010       -0.1132356085
O            -1.1547769510       -1.1122909180       -1.4414068010
O            -0.9614022213       -1.0086005670        1.4595541460
H             1.7749856510       -0.1152081869        3.0363054170
H             0.7604210732       -0.6065967343        1.9731672680
H             1.5332894900        0.9149768678       -0.8286185710
H             1.5409030880        1.0405173450        0.7220526726
H             2.1342769650       -1.3200087720       -1.4690418000
H             0.6848039517       -0.9306965679       -1.8332385400
H            -1.9023687450        2.1965043500       -0.0992854633
H            -0.4711191740        1.5480245700       -0.1100671492
H            -1.3870305380       -0.2117787698       -1.1063606480
H            -1.8760789840       -1.3806800020       -2.0186094760
H            -1.2977366790       -0.1193153407        1.2336908190
H            -0.9788267366       -1.4747460430        0.6042486202
    18
 Energy=    -45.1056991546114
O             1.6608893610       -0.2162132802        2.0910991140
O             1.2710530230        1.5159717620       -0.0956347629
O             1.6158635410       -0.6428993035       -1.9065969500
O            -1.4509672900        1.3474981620       -0.1143786804
O            -1.1583593890       -1.1107081790       -1.4421055540
O            -0.9564132922       -1.0108090050        1.4546754320
H             1.7709745000       -0.1061335534        3.0377127360
H             0.7650946193       -0.6087831678        1.9714510840
H             1.5319205950        0.9154038380       -0.8277285678
H             1.5419119870        1.0405756920        0.7225354595
H             2.1310192240       -1.3225364620       -1.4637517540
H             0.6824677330       -0.9329544830       -1.8310551810
H            -1.9016446650        2.1966773620       -0.0935449080
H            -0.4708497991        1.5463471150       -0.1098852669
H            -1.3901098550       -0.2090234087       -1.1096110110
H            -1.8774786550       -1.3790205120       -2.0218854570
H            -1.2924207500       -0.1209696895        1.2305946770
H            -0.9769436919       -1.4759190710        0.5989703585
    18
 Energy=    -45.1022813072630
O             1.6629761240       -0.2152114830        2.0916613440
O             1.2704044530        1.5172304270       -0.0948152285
O             1.6139856690       -0.6452205592       -1.9019595910
O            -1.4510926490        1.3475487950       -0.1170083006
O            -1.1612280180       -1.1083546330       -1.4416321240
O            -0.9538336328       -1.0134332770        1.4508430430
H             1.7681724680       -0.0998139181        3.0379670430
H             0.7689694436       -0.6119362426        1.9687080740
H             1.5307717380        0.9160155072       -0.8267368931
H             1.5426775230        1.0422081620        0.7229002100
H             2.1299415360       -1.3249504030       -1.4607081500
H             0.6805196557       -0.9348311140       -1.8263650080
H            -1.9008199300        2.1969720690       -0.0896664583
H            -0.4704982329        1.5440439510       -0.1100024121
H            -1.3929660380       -0.2054524847       -1.1120500130
H            -1.8786648630       -1.3773869500       -2.0233559410
H            -1.2875937510       -0.1227213109        1.2278734030
H            -0.9757143011       -1.4782027220        0.5952077711
    18
 Energy=    -45.1009741579474
O             1.6632475590       -0.2158941089        2.0895738100
O             1.2708775880        1.5184375410       -0.0942743652
O             1.6141240910       -0.6459242523       -1.9000011260
O            -1.4515744420        1.3481725770       -0.1181158949
O            -1.1611518790       -1.1084346760       -1.4403050770
O            -0.9550219965       -1.0138598250        1.4501688810
H             1.7670978970       -0.0983914276        3.0359234100
H             0.7702884889       -0.6149296956        1.9657983310
H             1.5302555450        0.9171421096       -0.8266833737
H             1.5424251000        1.0424223820        0.7231995780
H             2.1324720880       -1.3259874340       -1.4614024880
H             0.6804605577       -0.9359273801       -1.8226245650
H            -1.9009650450        2.1978826470       -0.0895475120
H            -0.4712293111        1.5444892960       -0.1087230679
H            -1.3931229280       -0.2051931419       -1.1116703320
H            -1.8784660060       -1.3774677690       -2.0224622050
H            -1.2870191090       -0.1224091510        1.2280924260
H            -0.9766910016       -1.4776238770        0.5939143380
    18
 Energy=    -45.0975393093979
O             1.6645370930       -0.2076371533        2.0937662870
O             1.2723153730        1.5189615710       -0.0928083971
O             1.6110425560       -0.6491723406       -1.8964267700
O            -1.4510893640        1.3471466000       -0.1205214487
O            -1.1657728440       -1.1098436570       -1.4466309600
O            -0.9466489179       -1.0158436390        1.4454204000
H             1.7645521090       -0.0930628431        3.0406668110
H             0.7747884269       -0.6139933872        1.9656092880
H             1.5297782110        0.9166808413       -0.8256328540
H             1.5456153910        1.0439724270        0.7248414727
H             2.1238259890       -1.3302844380       -1.4544444870
H             0.6758246454       -0.9344063039       -1.8228199090
H            -1.8991335750        2.1971079690       -0.0831432472
H            -0.4713082713        1.5434017450       -0.1061580622
H            -1.3949319900       -0.2068321578       -1.1157141040
H            -1.8843779600       -1.3736854550       -2.0298827880
H            -1.2809531650       -0.1251843055        1.2243918390
H            -0.9720565106       -1.4808216610        0.5903476973
    18
 Energy=    -45.0909666341840
O             1.6667397240       -0.2000485456        2.0961366640
O             1.2766729440        1.5217035050       -0.0904350511
O             1.6070546310       -0.6533499230       -1.8909339040
O            -1.4497479420        1.3464437050       -0.1195764175
O            -1.1713918440       -1.1132142450       -1.4534827480
O            -0.9383046881       -1.0169690570        1.4386547070
H             1.7598038500       -0.0862072176        3.0442585070
H             0.7811885595       -0.6135976678        1.9626272560
H             1.5296707540        0.9168004968       -0.8227459023
H             1.5490205760        1.0469511360        0.7278100364
H             2.1157310670       -1.3366804250       -1.4470764620
H             0.6702984617       -0.9359571626       -1.8235683900
H            -1.9001121390        2.1948683290       -0.0762320607
H            -0.4707202075        1.5449046490       -0.1013018799
H            -1.3971032850       -0.2112442128       -1.1180547590
H            -1.8902091360       -1.3706023710       -2.0394724620
H            -1.2747216130       -0.1263713103        1.2208495660
H            -0.9678625165       -1.4809258700        0.5834040680
    18
 Energy=    -45.0769634907140
O             1.6713400270       -0.1916101832        2.1052994720
O             1.2813935120        1.5214799650       -0.0875911604
O             1.6011221070       -0.6571921836       -1.8889696280
O            -1.4466178900        1.3438586640       -0.1115055336
O            -1.1794153150       -1.1194498910       -1.4656210080
O            -0.9240057576       -1.0156257440        1.4299776750
H             1.7544452910       -0.0758535537        3.0541356670
H             0.7876296308       -0.6056726403        1.9643262790
H             1.5309303170        0.9147257504       -0.8183683536
H             1.5543006100        1.0475118750        0.7309605527
H             2.0970820710       -1.3427177890       -1.4335323120
H             0.6637681796       -0.9382379719       -1.8379070570
H            -1.9031684320        2.1891669350       -0.0655334740
H            -0.4678928845        1.5481266800       -0.0958836872
H            -1.3998650230       -0.2195907147       -1.1220588500
H            -1.8971429480       -1.3676399640       -2.0564531610
H            -1.2682652750       -0.1263401884        1.2158496130
H            -0.9596310263       -1.4784352310        0.5737357355
    18
 Energy=    -45.0739377855999
O             1.6720951020       -0.1935190043        2.1055706180
O             1.2807961110        1.5212377920       -0.0871830839
O             1.6010972460       -0.6571389058       -1.8881980320
O            -1.4461331460        1.3444857360       -0.1092226461
O            -1.1799651590       -1.1211659100       -1.4652777750
O            -0.9238442865       -1.0153360290        1.4289623630
H             1.7538080570       -0.0745894223        3.0537767210
H             0.7876536136       -0.6046180351        1.9633169550
H             1.5314277160        0.9157143661       -0.8178279535
H             1.5543576460        1.0468144680        0.7307259573
H             2.0969673960       -1.3432944400       -1.4334797310
H             0.6640669817       -0.9392416859       -1.8389901870
H            -1.9042548830        2.1889474880       -0.0652334412
H            -0.4674434537        1.5497167910       -0.0953577542
H            -1.3991439930       -0.2210124657       -1.1219775080
H            -1.8970818760       -1.3681938420       -2.0574359020
H            -1.2682956790       -0.1254008836        1.2168036310
H            -0.9601001959       -1.4769022040        0.5718885363
    18
 Energy=    -45.0624301459488
O             1.6752406700       -0.1966037073        2.1091055770
O             1.2777524440        1.5194154740       -0.0858099255
O             1.6007171730       -0.6583368981       -1.8899850510
O            -1.4444723560        1.3437306470       -0.1035818441
O            -1.1817423050       -1.1246842680       -1.4660124260
O            -0.9241043332       -1.0148579390        1.4264221600
H             1.7539197020       -0.0712802476        3.0569278970
H             0.7853177960       -0.5984982636        1.9653395130
H             1.5332056320        0.9148738870       -0.8178796957
H             1.5566168470        1.0469050150        0.7314510968
H             2.0936267750       -1.3435994510       -1.4306605770
H             0.6616760333       -0.9390435340       -1.8468036290
H            -1.9054979330        2.1864651580       -0.0632838759
H            -0.4666430564        1.5514147020       -0.0949048202
H            -1.3987014760       -0.2232448424       -1.1242685720
H            -1.8977418410       -1.3679649780       -2.0615484060
H            -1.2659223930       -0.1235093685        1.2175964220
H            -0.9572401832       -1.4746775700        0.5687569236
    18
 Energy=    -45.0461025398204
O             1.6765784010       -0.1717049913        2.1238680280
O             1.2838470980        1.5271986920       -0.0866079620
O             1.5862541270       -0.6682782185       -1.8765621750
O            -1.4364752430        1.3339260130       -0.1034974435
O            -1.1988644900       -1.1209185510       -1.4813587030
O            -0.9096381404       -1.0270353110        1.4135842770
H             1.7512070560       -0.0657620729        3.0742177840
H             0.7971102984       -0.5865883625        1.9658178200
H             1.5365283890        0.9094312227       -0.8076620625
H             1.5651676800        1.0703661380        0.7399748297
H             2.0699860990       -1.3567416370       -1.4143029570
H             0.6455324817       -0.9403938182       -1.8489089670
H            -1.9017331110        2.1733399740       -0.0508702179
H            -0.4602105533        1.5475890110       -0.0984129932
H            -1.4123763710       -0.2214569513       -1.1342596070
H            -1.9127987360       -1.3541031230       -2.0820548940
H            -1.2440978090       -0.1330903206        1.2006077450
H            -0.9400099811       -1.4892738780        0.5572882660
    18
 Energy=    -45.0022322504992
O             1.6798353600       -0.1344639616        2.1434149970
O             1.3011470580        1.5439407870       -0.0873781328
O             1.5650476120       -0.6822117228       -1.8551635690
O            -1.4262749350        1.3169752220       -0.1068210684
O            -1.2222497110       -1.1108289560       -1.5065508190
O            -0.8758418420       -1.0420582380        1.3942621070
H             1.7401640930       -0.0609373168        3.0977762100
H             0.8130766605       -0.5684327802        1.9635569220
H             1.5373906980        0.8967695246       -0.7892438448
H             1.5808021200        1.1148388780        0.7528888487
H             2.0319176160       -1.3794753120       -1.3886962600
H             0.6202104046       -0.9440186244       -1.8500662500
H            -1.8961029850        2.1519494390       -0.0314064055
H            -0.4522741704        1.5367195030       -0.1038507870
H            -1.4348256660       -0.2154752535       -1.1473729200
H            -1.9354158360       -1.3334889250       -2.1127388750
H            -1.2115119470       -0.1508741822        1.1741623880
H            -0.9190873341       -1.5124242660        0.5440882262
    18
 Energy=    -44.9836876952856
O             1.6797927860       -0.1192430467        2.1491003640
O             1.3089124470        1.5514286100       -0.0886055029
O             1.5576172890       -0.6843173452       -1.8441334410
O            -1.4232536800        1.3122134100       -0.1103322389
O            -1.2299158000       -1.1054121880       -1.5162696230
O            -0.8600814047       -1.0474422410        1.3877683360
H             1.7356869450       -0.0609600378        3.1048658660
H             0.8205351039       -0.5641775478        1.9606319620
H             1.5372834060        0.8936633447       -0.7824566873
H             1.5839641790        1.1285151230        0.7560045872
H             2.0187188790       -1.3884521940       -1.3806372600
H             0.6127021168       -0.9466480533       -1.8464408530
H            -1.8940104460        2.1461681160       -0.0250757977
H            -0.4484486801        1.5325394260       -0.1071908188
H            -1.4427958450       -0.2125452514       -1.1503119420
H            -1.9434061800       -1.3267965360       -2.1221394470
H            -1.2023538290       -0.1590774984        1.1650463840
H            -0.9149400903       -1.5229522770        0.5410368826
    18
 Energy=    -44.9798298440423
O             1.6801483870       -0.1178822416        2.1491730970
O             1.3103020190        1.5526904390       -0.0888140312
O             1.5567328600       -0.6838792182       -1.8419425980
O            -1.4229775150        1.3116871660       -0.1104166036
O            -1.2306326520       -1.1046576750       -1.5173476380
O            -0.8576809125       -1.0479293900        1.3870087370
H             1.7347193360       -0.0611102815        3.1052803240
H             0.8215638304       -0.5637083965        1.9594667170
H             1.5373241570        0.8937013225       -0.7813653012
H             1.5837776010        1.1299289020        0.7560684619
H             2.0172934930       -1.3898500980       -1.3799124330
H             0.6122167077       -0.9478328824       -1.8456197200
H            -1.8942309130        2.1456985310       -0.0244676891
H            -0.4475325518        1.5323831690       -0.1078309037
H            -1.4437629500       -0.2120766939       -1.1500563630
H            -1.9440648760       -1.3264330210       -2.1230997200
H            -1.2017584860       -0.1601748943        1.1641551450
H            -0.9154303381       -1.5240509230        0.5405812856
    18
 Energy=    -44.9701759625103
O             1.6807593530       -0.1177767900        2.1490475450
O             1.3108748080        1.5516662140       -0.0890136523
O             1.5564691010       -0.6830572901       -1.8418803450
O            -1.4235539970        1.3107661710       -0.1102881998
O            -1.2295714120       -1.1043048380       -1.5181028170
O            -0.8564616372       -1.0468183350        1.3877551300
H             1.7339146470       -0.0617007932        3.1057142610
H             0.8218316411       -0.5633444295        1.9584266400
H             1.5371393640        0.8937704759       -0.7806998305
H             1.5835905110        1.1298311630        0.7551666315
H             2.0162222890       -1.3895580960       -1.3791774410
H             0.6126643132       -0.9480641511       -1.8469115740
H            -1.8948154340        2.1460652100       -0.0242064384
H            -0.4463671125        1.5321117630       -0.1082638595
H            -1.4440459400       -0.2112876946       -1.1494640960
H            -1.9437638070       -1.3270515500       -2.1233084330
H            -1.2027509430       -0.1603107706        1.1643026990
H            -0.9161285480       -1.5244324440        0.5417645475
    18
 Energy=    -44.9670407356865
O             1.6772174350       -0.1033477406        2.1587146880
O             1.3069575120        1.5504640990       -0.0899507386
O             1.5531263490       -0.6836670165       -1.8407144300
O            -1.4202571030        1.3104271420       -0.1152354420
O            -1.2361024780       -1.1011697660       -1.5263684370
O            -0.8463429882       -1.0519562570        1.3848714180
H             1.7374557880       -0.0614638658        3.1149464770
H             0.8247758031       -0.5590773892        1.9667321730
H             1.5390500230        0.8913226249       -0.7811186358
H             1.5864160500        1.1311779140        0.7557724232
H             2.0042828850       -1.3913683380       -1.3725572900
H             0.6073853607       -0.9433702990       -1.8481408970
H            -1.8900491810        2.1440199600       -0.0195883613
H            -0.4441363292        1.5276098560       -0.1122365043
H            -1.4465415440       -0.2101010107       -1.1548364140
H            -1.9511349840       -1.3216890190       -2.1300428600
H            -1.1973248140       -0.1671538450        1.1579304940
H            -0.9087705898       -1.5341532350        0.5426831069
    18
 Energy=    -44.9548746694376
O             1.6736511250       -0.0917332430        2.1674926790
O             1.3032164590        1.5463289920       -0.0902186996
O             1.5507190760       -0.6849531507       -1.8425006660
O            -1.4186137200        1.3093530380       -0.1194806846
O            -1.2404641870       -1.1000619160       -1.5325932220
O            -0.8399386152       -1.0555393940        1.3828798690
H             1.7424841290       -0.0607020439        3.1231319660
H             0.8256080884       -0.5558934215        1.9765400700
H             1.5403653340        0.8900120897       -0.7818328724
H             1.5882604370        1.1311901510        0.7549510495
H             1.9950743590       -1.3911672920       -1.3673079930
H             0.6035272024       -0.9379468376       -1.8505185380
H            -1.8860083990        2.1435027550       -0.0160824112
H            -0.4416275407        1.5242720890       -0.1151666842
H            -1.4482950540       -0.2084811530       -1.1594483270
H            -1.9574893670       -1.3173708350       -2.1354828930
H            -1.1929561660       -0.1725387021        1.1531252370
H            -0.9015059652       -1.5417673120        0.5433728884
    18
 Energy=    -44.9468045382517
O             1.6716585600       -0.0862019616        2.1716528780
O             1.3008281240        1.5440194110       -0.0901845312
O             1.5496003770       -0.6864662634       -1.8440223860
O            -1.4177964320        1.3089305040       -0.1217377193
O            -1.2426334650       -1.1000690620       -1.5351300520
O            -0.8383116837       -1.0575427850        1.3819496470
H             1.7453864140       -0.0600531255        3.1269583810
H             0.8257691360       -0.5548166734        1.9815014930
H             1.5409993000        0.8894417221       -0.7825326539
H             1.5895856440        1.1315157130        0.7550104557
H             1.9915358440       -1.3908852330       -1.3649071830
H             0.6013913357       -0.9346418376       -1.8513254810
H            -1.8836517380        2.1432247940       -0.0145401818
H            -0.4410462620        1.5228696460       -0.1160640009
H            -1.4489856900       -0.2079700613       -1.1621033750
H            -1.9607033550       -1.3149076130       -2.1378904120
H            -1.1903151500       -0.1747056675        1.1509202650
H            -0.8973037616       -1.5452376930        0.5433056245
    18
 Energy=    -44.9410732275038
O             1.6708025260       -0.0822711498        2.1726005530
O             1.3000998810        1.5446115460       -0.0898024658
O             1.5481766460       -0.6882224695       -1.8410872480
O            -1.4167641970        1.3088556180       -0.1231565448
O            -1.2450954650       -1.1008522730       -1.5362114900
O            -0.8373074887       -1.0602329770        1.3797199030
H             1.7461499250       -0.0593941343        3.1280993940
H             0.8268585400       -0.5547326304        1.9823504990
H             1.5416674920        0.8903669284       -0.7821713464
H             1.5902834120        1.1342518260        0.7558659764
H             1.9906591600       -1.3930206850       -1.3642086030
H             0.5993229628       -0.9339074377       -1.8480184550
H            -1.8820664100        2.1428152630       -0.0135613234
H            -0.4406672851        1.5232545660       -0.1165305184
H            -1.4499543360       -0.2077054940       -1.1636079310
H            -1.9638207150       -1.3125275870       -2.1398077580
H            -1.1868164820       -0.1770645124        1.1493153540
H            -0.8955209717       -1.5477205840        0.5410727722
    18
 Energy=    -44.9267703537144
O             1.6712681970       -0.0718758460        2.1728582360
O             1.3014759910        1.5531200970       -0.0893155544
O             1.5426991620       -0.6912158158       -1.8214092610
O            -1.4144586270        1.3084094420       -0.1267141251
O            -1.2557343940       -1.1027151950       -1.5394355960
O            -0.8287617271       -1.0723919190        1.3705403220
H             1.7441295250       -0.0582313395        3.1291350440
H             0.8323583009       -0.5509892774        1.9775531760
H             1.5440633540        0.8960723004       -0.7797526819
H             1.5893926340        1.1446630540        0.7591378305
H             1.9891300330       -1.4058849120       -1.3626814950
H             0.5923530638       -0.9354315829       -1.8309509970
H            -1.8780136480        2.1432629940       -0.0101116379
H            -0.4372200994        1.5267519880       -0.1200795291
H            -1.4521175670       -0.2085142022       -1.1679836630
H            -1.9745092370       -1.3046372000       -2.1459863910
H            -1.1741332960       -0.1869805184        1.1449559180
H            -0.8959144683       -1.5569082530        0.5311011729
    18
 Energy=    -44.9194905774363
O             1.6719867520       -0.0661602881        2.1748452870
O             1.3037082030        1.5561552440       -0.0894871795
O             1.5394010640       -0.6911076036       -1.8127013450
O            -1.4123660150        1.3094914760       -0.1280144072
O            -1.2604093550       -1.1030523780       -1.5419211120
O            -0.8237155597       -1.0785027660        1.3667470010
H             1.7447223770       -0.0577592636        3.1314400990
H             0.8349122497       -0.5474666799        1.9769819500
H             1.5452675630        0.8990932043       -0.7792394285
H             1.5860704200        1.1464294170        0.7591806391
H             1.9870365490       -1.4112695560       -1.3606374700
H             0.5896899339       -0.9358083282       -1.8250245680
H            -1.8756471740        2.1433456710       -0.0083838650
H            -0.4364741062        1.5275232630       -0.1231471064
H            -1.4532921530       -0.2084641446       -1.1700188910
H            -1.9796793820       -1.3012465730       -2.1493132650
H            -1.1690678330       -0.1923631588        1.1424570580
H            -0.8961363359       -1.5623337210        0.5270973704
    18
 Energy=    -44.9112635197621
O             1.6737464250       -0.0635629906        2.1745938340
O             1.3054199180        1.5609545630       -0.0899174693
O             1.5372567130       -0.6900715600       -1.8021977040
O            -1.4111459140        1.3102670700       -0.1285679137
O            -1.2637726360       -1.1035499980       -1.5436791920
O            -0.8182764433       -1.0826539960        1.3635327870
H             1.7419014540       -0.0583022146        3.1313952210
H             0.8379960564       -0.5444292814        1.9712980580
H             1.5461789020        0.9016915843       -0.7778519337
H             1.5842215130        1.1491589420        0.7595177031
H             1.9853886910       -1.4169005630       -1.3602249200
H             0.5883338849       -0.9378165564       -1.8183076250
H            -1.8748681850        2.1437721800       -0.0070168056
H            -0.4350419472        1.5284326780       -0.1257200454
H            -1.4536601810       -0.2081356410       -1.1706556930
H            -1.9832649580       -1.2993203230       -2.1515951720
H            -1.1654642800       -0.1966202019        1.1417509260
H            -0.8989418162       -1.5664098780        0.5245067124
    18
 Energy=    -44.9074187833324
O             1.6743218550       -0.0629672901        2.1755018170
O             1.3057899470        1.5614476000       -0.0903143400
O             1.5368873810       -0.6891407522       -1.8007320220
O            -1.4109071250        1.3106064270       -0.1287617119
O            -1.2641230860       -1.1035945020       -1.5446097610
O            -0.8167867254       -1.0833320590        1.3634933740
H             1.7416534680       -0.0586643740        3.1323140180
H             0.8385590229       -0.5427870415        1.9702690380
H             1.5463111730        0.9019611233       -0.7779702483
H             1.5832925190        1.1483704850        0.7590867192
H             1.9840780740       -1.4175576430       -1.3595032980
H             0.5883439083       -0.9376028989       -1.8181250950
H            -1.8745435140        2.1441565080       -0.0065516493
H            -0.4349054364        1.5279209100       -0.1267253954
H            -1.4534093890       -0.2078045164       -1.1709978410
H            -1.9840133320       -1.2991029220       -2.1521826500
H            -1.1651236000       -0.1976139760        1.1417462330
H            -0.8994179453       -1.5677912640        0.5249235798
    18
 Energy=    -44.9031495612778
O             1.6756241720       -0.0630259503        2.1770281510
O             1.3066171780        1.5613916660       -0.0904818853
O             1.5373931170       -0.6880304201       -1.7999588530
O            -1.4114377130        1.3108849430       -0.1291772165
O            -1.2642621990       -1.1033617130       -1.5456182470
O            -0.8160223720       -1.0836438010        1.3646254960
H             1.7413379980       -0.0594992654        3.1340090170
H             0.8386939805       -0.5400031475        1.9688041520
H             1.5459018220        0.9015526933       -0.7785765969
H             1.5819175420        1.1465230000        0.7576924088
H             1.9815274940       -1.4169824550       -1.3592608920
H             0.5890626555       -0.9363112930       -1.8190794180
H            -1.8740648740        2.1451181460       -0.0059461417
H            -0.4352612714        1.5262695470       -0.1277468816
H            -1.4520945670       -0.2078805015       -1.1720750320
H            -1.9843291060       -1.2990821680       -2.1524145680
H            -1.1650459620       -0.1979213103        1.1423739930
H            -0.8995506994       -1.5694941560        0.5266632811
    18
 Energy=    -44.8972645719508
O             1.6750950740       -0.0617291364        2.1827711770
O             1.3076458220        1.5584448530       -0.0916567058
O             1.5381281750       -0.6866453840       -1.8076217050
O            -1.4128000420        1.3108027590       -0.1295452147
O            -1.2634800660       -1.1029157350       -1.5470908210
O            -0.8171048653       -1.0826485310        1.3662141120
H             1.7471248330       -0.0588780015        3.1391210200
H             0.8357452576       -0.5366660400        1.9783912950
H             1.5453802590        0.8992475971       -0.7816481584
H             1.5785950250        1.1385762770        0.7561209387
H             1.9778844730       -1.4124888510       -1.3573624310
H             0.5899570187       -0.9325938694       -1.8264637680
H            -1.8728322890        2.1461552520       -0.0056472261
H            -0.4356279212        1.5235651780       -0.1289764867
H            -1.4515069010       -0.2072812477       -1.1736651350
H            -1.9842592460       -1.2992501050       -2.1528672720
H            -1.1661056280       -0.1983877974        1.1418160420
H            -0.8958317816       -1.5708034020        0.5289711063
    18
 Energy=    -44.8832035966970
O             1.6707421100       -0.0544503970        2.1898647730
O             1.3135217120        1.5592237540       -0.0922723371
O             1.5360492080       -0.6877554552       -1.8088953110
O            -1.4098273990        1.3098844460       -0.1289347213
O            -1.2673783020       -1.1018372250       -1.5476518090
O            -0.8164879986       -1.0871364050        1.3604461050
H             1.7591354160       -0.0537974245        3.1441066020
H             0.8342638838       -0.5375270373        1.9974944570
H             1.5467365420        0.9000415661       -0.7836465779
H             1.5700840060        1.1315557420        0.7560968297
H             1.9768503080       -1.4107053070       -1.3578969410
H             0.5874274817       -0.9343876386       -1.8287683670
H            -1.8719084950        2.1458046810       -0.0057605923
H            -0.4344502085        1.5255507940       -0.1313825927
H            -1.4570351490       -0.2062449957       -1.1736947040
H            -1.9869546380       -1.2968658640       -2.1555851460
H            -1.1646917690       -0.2016788900        1.1357588220
H            -0.8900695128       -1.5731705300        0.5215822779
    18
 Energy=    -44.8726321956834
O             1.6680387620       -0.0498988863        2.1921257210
O             1.3167723130        1.5607319490       -0.0920871188
O             1.5338292910       -0.6890439318       -1.8072458730
O            -1.4082173240        1.3100352960       -0.1282777577
O            -1.2705193280       -1.1006570180       -1.5475132130
O            -0.8160817138       -1.0895891230        1.3556546990
H             1.7651931380       -0.0506225999        3.1458486320
H             0.8341609085       -0.5395802524        2.0064875630
H             1.5479797030        0.9013466473       -0.7838715035
H             1.5657973860        1.1298835520        0.7565784962
H             1.9774397300       -1.4111634470       -1.3586036880
H             0.5859680486       -0.9369377364       -1.8276147550
H            -1.8714056890        2.1443583080       -0.0060716127
H            -0.4329140422        1.5279858380       -0.1325194388
H            -1.4608046440       -0.2063044017       -1.1732162430
H            -1.9885177300       -1.2952899440       -2.1570782670
H            -1.1630854530       -0.2044892970        1.1322225100
H            -0.8876261583       -1.5742611390        0.5160426165
    18
 Energy=    -44.8514956899101
O             1.6641515140       -0.0440598482        2.1902806880
O             1.3204469360        1.5670521170       -0.0913955636
O             1.5287912190       -0.6917735637       -1.7946621060
O            -1.4033246600        1.3100938200       -0.1263737469
O            -1.2757469610       -1.0993851270       -1.5464097210
O            -0.8099561859       -1.0952134780        1.3451921220
H             1.7685962530       -0.0460621467        3.1433350390
H             0.8368195398       -0.5456387288        2.0108611980
H             1.5511023880        0.9062910797       -0.7810815464
H             1.5622269350        1.1349914850        0.7595700423
H             1.9821182150       -1.4174894190       -1.3609593510
H             0.5821067966       -0.9456490030       -1.8186395380
H            -1.8721278220        2.1410838210       -0.0066733075
H            -0.4292254806        1.5354603750       -0.1343164533
H            -1.4683074030       -0.2060403729       -1.1699584360
H            -1.9916733610       -1.2928694900       -2.1596686910
H            -1.1605542360       -0.2092299653        1.1268833570
H            -0.8894364896       -1.5750577420        0.5048767823
    18
 Energy=    -44.8472243917880
O             1.6638357710       -0.0435206120        2.1897776770
O             1.3208319450        1.5679943080       -0.0912357787
O             1.5282089310       -0.6920303386       -1.7925501920
O            -1.4029046250        1.3102967610       -0.1260991537
O            -1.2762325120       -1.0992474330       -1.5461951940
O            -0.8090257398       -1.0959247110        1.3439727430
H             1.7685333580       -0.0456428962        3.1428009050
H             0.8373607474       -0.5464030727        2.0104449890
H             1.5514941350        0.9069796876       -0.7806133516
H             1.5619545330        1.1359815000        0.7599238351
H             1.9827512760       -1.4185043980       -1.3613448180
H             0.5816224881       -0.9468720419       -1.8172159990
H            -1.8721667310        2.1404897020       -0.0067546257
H            -0.4286845928        1.5364418030       -0.1345379499
H            -1.4691631980       -0.2059962793       -1.1694903830
H            -1.9921189800       -1.2926376880       -2.1600113000
H            -1.1602988850       -0.2096908791        1.1263795840
H            -0.8899907269       -1.5752095960        0.5036097812
    18
 Energy=    -44.8230149705134
O             1.6630373390       -0.0409586547        2.1843138490
O             1.3218868250        1.5748303620       -0.0902617245
O             1.5238042350       -0.6934113309       -1.7761512860
O            -1.3982859660        1.3106929880       -0.1244184863
O            -1.2801055090       -1.0979574720       -1.5457156250
O            -0.8025615327       -1.0986359690        1.3359968550
H             1.7652144210       -0.0439092400        3.1380992820
H             0.8415722268       -0.5519721009        2.0014787790
H             1.5542686850        0.9118983013       -0.7765878782
H             1.5619336320        1.1445138050        0.7624700328
H             1.9869388600       -1.4261952100       -1.3638511650
H             0.5796001855       -0.9556341799       -1.8062435680
H            -1.8738702610        2.1379323340       -0.0069870616
H            -0.4256783195        1.5428195950       -0.1359022053
H            -1.4739654990       -0.2063029194       -1.1659904550
H            -1.9933180720       -1.2914758630       -2.1608377020
H            -1.1586938320       -0.2133420502        1.1247956970
H            -0.8957702232       -1.5763885810        0.4966534293
    18
 Energy=    -44.7949971865524
O             1.6630873870       -0.0404405675        2.1775408490
O             1.3221113610        1.5830141520       -0.0892876127
O             1.5201537210       -0.6946549897       -1.7587083400
O            -1.3948398640        1.3118314280       -0.1231215975
O            -1.2837170700       -1.0978850050       -1.5446550300
O            -0.7965771059       -1.1016202670        1.3294977110
H             1.7593644430       -0.0427086549        3.1320127120
H             0.8458648989       -0.5574806190        1.9865073360
H             1.5564279020        0.9168110308       -0.7712114255
H             1.5641721610        1.1557730630        0.7652276483
H             1.9906941550       -1.4351599520       -1.3672062000
H             0.5789103440       -0.9647796044       -1.7922458150
H            -1.8758924440        2.1353522210       -0.0071577004
H            -0.4228075887        1.5485028420       -0.1362901196
H            -1.4772061740       -0.2064631926       -1.1624893910
H            -1.9948583920       -1.2905123920       -2.1616140880
H            -1.1562366870       -0.2152220203        1.1245987270
H            -0.9026438524       -1.5778536590        0.4894631046
    18
 Energy=    -44.7029429183515
O             1.6627777830       -0.0390467772        2.1573562370
O             1.3261227580        1.6089839160       -0.0842342396
O             1.5143264100       -0.7037723841       -1.7171759740
O            -1.3882268690        1.3140313240       -0.1233337921
O            -1.2973393820       -1.1025003160       -1.5363232920
O            -0.8008257245       -1.1141535080        1.3160824830
H             1.7423798090       -0.0390809850        3.1120462450
H             0.8613876558       -0.5741735958        1.9447670040
H             1.5591080250        0.9287203450       -0.7545677002
H             1.5722725540        1.1928746770        0.7738902134
H             2.0020307170       -1.4601320210       -1.3811469990
H             0.5782622156       -0.9874959280       -1.7422750720
H            -1.8812606190        2.1309493030       -0.0078181591
H            -0.4197132309        1.5608231400       -0.1301676379
H            -1.4820564580       -0.2085220016       -1.1569045700
H            -2.0031732160       -1.2845905190       -2.1648336920
H            -1.1379835040       -0.2180177429        1.1223180040
H            -0.9120817285       -1.5783931120        0.4631817092
    18
 Energy=    -44.5872500689048
O             1.6582584060       -0.0334400329        2.1454319550
O             1.3328071260        1.6250689540       -0.0805247356
O             1.5121141570       -0.7156711399       -1.7021024110
O            -1.3858192430        1.3146370470       -0.1256306262
O            -1.3120772630       -1.1094098500       -1.5288935400
O            -0.8192712397       -1.1300932540        1.3042322460
H             1.7400562950       -0.0331005010        3.1005817600
H             0.8708142626       -0.5874579604        1.9368198030
H             1.5592931620        0.9358883092       -0.7437008783
H             1.5754955050        1.2165446310        0.7813199482
H             2.0125896680       -1.4744314850       -1.3915332730
H             0.5749841146       -0.9995146973       -1.7063577010
H            -1.8836750130        2.1286102940       -0.0090467153
H            -0.4191284112        1.5681622060       -0.1216300023
H            -1.4860029340       -0.2099181778       -1.1556155880
H            -2.0108149860       -1.2768873730       -2.1676354840
H            -1.1179609490       -0.2201823193        1.1145204710
H            -0.9056554633       -1.5723008380        0.4406255376
    18
 Energy=    -44.5030534532712
O             1.6534849880       -0.0342271448        2.1434164000
O             1.3359263270        1.6307685210       -0.0790605909
O             1.5120610770       -0.7233551301       -1.7052131070
O            -1.3855816700        1.3142729080       -0.1264254844
O            -1.3200190130       -1.1141078220       -1.5246779120
O            -0.8188458477       -1.1375068770        1.2968795250
H             1.7461152180       -0.0273442056        3.0983744840
H             0.8627572750       -0.5888931458        1.9544423240
H             1.5575447480        0.9367395022       -0.7404047108
H             1.5780306540        1.2249126170        0.7845384859
H             2.0161234460       -1.4783663250       -1.3965351080
H             0.5741202030       -1.0009701530       -1.6960985650
H            -1.8841162170        2.1283740540       -0.0097681476
H            -0.4197350669        1.5699885510       -0.1181297836
H            -1.4865132060       -0.2107501239       -1.1567610300
H            -2.0156681570       -1.2727519950       -2.1701692150
H            -1.1080819110       -0.2222860591        1.1105715680
H            -0.9015956505       -1.5679933590        0.4258816363
    18
 Energy=    -44.4581282751094
O             1.6485604970       -0.0426043735        2.1447438310
O             1.3370286630        1.6349148540       -0.0781652862
O             1.5134977560       -0.7263882591       -1.7073115140
O            -1.3855207200        1.3143183930       -0.1259076983
O            -1.3259034590       -1.1177219670       -1.5216477640
O            -0.8044064420       -1.1400771840        1.2858387510
H             1.7517087370       -0.0208140765        3.0986072800
H             0.8469328498       -0.5856939437        1.9668219480
H             1.5546779120        0.9372544257       -0.7365365531
H             1.5831257830        1.2333507000        0.7850396978
H             2.0159846050       -1.4831114390       -1.4010603210
H             0.5753456971       -1.0024304410       -1.6910234860
H            -1.8847683580        2.1284770560       -0.0100162114
H            -0.4203709099        1.5705310870       -0.1173740751
H            -1.4845007650       -0.2119914692       -1.1579332440
H            -2.0190891010       -1.2706078990       -2.1720842910
H            -1.1017379610       -0.2259156516        1.1121766660
H            -0.9045575868       -1.5649859990        0.4166930369
    18
 Energy=    -44.4188078762398
O             1.6482101490       -0.0473188500        2.1443241070
O             1.3377829250        1.6376271700       -0.0789236332
O             1.5149698310       -0.7278518133       -1.7021877680
O            -1.3855310580        1.3150860080       -0.1255200968
O            -1.3287586960       -1.1193768910       -1.5204327320
O            -0.7985246117       -1.1402309790        1.2824406310
H             1.7477539300       -0.0201072279        3.0946574900
H             0.8450026518       -0.5843538735        1.9629266770
H             1.5530876570        0.9395988499       -0.7326372583
H             1.5861774940        1.2398028000        0.7857942388
H             2.0167112720       -1.4867477870       -1.4042384790
H             0.5750921247       -1.0042689730       -1.6852554940
H            -1.8850723140        2.1279540650       -0.0100087886
H            -0.4208727481        1.5712127810       -0.1169573732
H            -1.4830612320       -0.2128578767       -1.1581251720
H            -2.0199009360       -1.2697371340       -2.1720216200
H            -1.0988737010       -0.2280763560        1.1136956720
H            -0.9081855406       -1.5638500990        0.4133303682
    18
 Energy=    -44.1980468703825
O             1.6536941770       -0.0667984142        2.1289571490
O             1.3367518600        1.6579212550       -0.0747115396
O             1.5119973790       -0.7333207865       -1.6666738690
O            -1.3861895410        1.3143921110       -0.1240726290
O            -1.3325916150       -1.1259408110       -1.5150172080
O            -0.7717816395       -1.1430272050        1.2693815240
H             1.7227452530       -0.0222634930        3.0785133610
H             0.8413021305       -0.5794769183        1.9267025510
H             1.5501903890        0.9436040089       -0.7229130357
H             1.6005033440        1.2698286540        0.7893059409
H             2.0204546440       -1.5050464420       -1.4173404640
H             0.5815902036       -1.0118155880       -1.6592329740
H            -1.8883703480        2.1286598210       -0.0088946707
H            -0.4204555009        1.5760195160       -0.1166286600
H            -1.4772026980       -0.2143668332       -1.1567211620
H            -2.0238282690       -1.2685149210       -2.1722972350
H            -1.0918249390       -0.2300458236        1.1248656730
H            -0.9309776346       -1.5633043160        0.4076380176
    18
 Energy=    -44.0398481598408
O             1.6705696610       -0.0833554974        2.1007908510
O             1.3362275910        1.6759227860       -0.0734929204
O             1.5139872310       -0.7343258764       -1.6105837200
O            -1.3853549460        1.3171765750       -0.1221459727
O            -1.3344071640       -1.1295032670       -1.5118590330
O            -0.7507105331       -1.1405689330        1.2611090240
H             1.6792394860       -0.0336733422        3.0551268660
H             0.8515596423       -0.5772762970        1.8615661570
H             1.5474547880        0.9551373066       -0.7076598859
H             1.6153965090        1.3056254090        0.7929987838
H             2.0268148940       -1.5277907690       -1.4324588630
H             0.5810294537       -1.0240837550       -1.6260997610
H            -1.8910570950        2.1266947470       -0.0073666279
H            -0.4222306097        1.5815392620       -0.1169259289
H            -1.4705489600       -0.2174777999       -1.1539663930
H            -2.0234943040       -1.2687891000       -2.1683914950
H            -1.0869824730       -0.2325785853        1.1403508120
H            -0.9614859746       -1.5661690490        0.4098688752
    18
 Energy=    -43.9636696962451
O             1.6823604560       -0.0862479190        2.0856768290
O             1.3356529850        1.6838572040       -0.0723235345
O             1.5137785320       -0.7366776686       -1.5811092560
O            -1.3850783250        1.3177291410       -0.1217583922
O            -1.3319591050       -1.1297368860       -1.5110471550
O            -0.7507722745       -1.1396588200        1.2626313400
H             1.6524505830       -0.0438866209        3.0407215870
H             0.8680845816       -0.5777436506        1.8246559790
H             1.5479133360        0.9597689624       -0.7030893410
H             1.6195353660        1.3190802880        0.7949514562
H             2.0297472050       -1.5344893720       -1.4382653570
H             0.5810998430       -1.0285498180       -1.6111675250
H            -1.8922565230        2.1262117400       -0.0064523411
H            -0.4225253754        1.5842917830       -0.1169971398
H            -1.4685819520       -0.2181047279       -1.1520272360
H            -2.0222493150       -1.2698193390       -2.1660018590
H            -1.0876206060       -0.2312989316        1.1462084670
H            -0.9735722157       -1.5682215500        0.4162542443
    18
 Energy=    -43.9157152354673
O             1.6882996730       -0.0861258169        2.0778735980
O             1.3355120770        1.6863970810       -0.0719016610
O             1.5140275350       -0.7376581651       -1.5708372890
O            -1.3849961850        1.3179628830       -0.1216711158
O            -1.3310286730       -1.1297265140       -1.5109072440
O            -0.7515153351       -1.1393617860        1.2635321790
H             1.6415828290       -0.0485811677        3.0352603060
H             0.8742872052       -0.5777483254        1.8143261820
H             1.5481556330        0.9614178997       -0.7015944349
H             1.6207721340        1.3235047660        0.7957337594
H             2.0309155870       -1.5365367660       -1.4400829620
H             0.5805826064       -1.0300015670       -1.6060523480
H            -1.8926214030        2.1259970410       -0.0061328478
H            -0.4226572161        1.5852341540       -0.1169940841
H            -1.4679633820       -0.2182923969       -1.1513160080
H            -2.0216812950       -1.2702152300       -2.1650724070
H            -1.0880134370       -0.2305764807        1.1482152660
H            -0.9776511568       -1.5691857950        0.4184818805
    18
 Energy=    -43.7686153020203
O             1.6913501570       -0.0880167763        2.0664380260
O             1.3354617840        1.6890657850       -0.0721466294
O             1.5152811460       -0.7392114350       -1.5564067420
O            -1.3845335940        1.3183832040       -0.1215885020
O            -1.3294001280       -1.1291256180       -1.5105486490
O            -0.7542336765       -1.1383631680        1.2667603620
H             1.6266555330       -0.0545730358        3.0320110250
H             0.8892556842       -0.5768027923        1.7952436850
H             1.5484999410        0.9642403816       -0.6993644864
H             1.6218501920        1.3287470510        0.7967914732
H             2.0321380540       -1.5381655770       -1.4424803650
H             0.5793504411       -1.0320649960       -1.5992913830
H            -1.8930916750        2.1257116320       -0.0056943488
H            -0.4230637422        1.5863487070       -0.1169494775
H            -1.4672341710       -0.2187405321       -1.1504449820
H            -2.0207667590       -1.2708846300       -2.1637895450
H            -1.0890371640       -0.2297455060        1.1501858670
H            -0.9824748263       -1.5702988800        0.4221354387
    18
 Energy=    -43.3690078606787
O             1.7130460210       -0.0963057615        2.0483664190
O             1.3337559260        1.7112441580       -0.0699025829
O             1.5105636020       -0.7468227235       -1.4659397580
O            -1.3834370750        1.3201158180       -0.1211522423
O            -1.3176331580       -1.1269395460       -1.5095770460
O            -0.7732824841       -1.1361519100        1.2871840950
H             1.5521954250       -0.0813851399        2.9950042120
H             0.9633115029       -0.5869346097        1.6350935040
H             1.5523206420        0.9778868708       -0.6873907633
H             1.6279334240        1.3611058300        0.7996155269
H             2.0395329740       -1.5514835730       -1.4568826060
H             0.5839784643       -1.0437089940       -1.5561426030
H            -1.8963856250        2.1245592450       -0.0028637891
H            -0.4233270173        1.5938668080       -0.1168674163
H            -1.4633919040       -0.2196075170       -1.1438131520
H            -2.0146758670       -1.2752388220       -2.1554455060
H            -1.0964564040       -0.2245819232        1.1602683590
H            -1.0120412500       -1.5731143960        0.4513061156
    18
 Energy=    -43.1697449440137
O             1.7233620710       -0.0937485551        2.0412981740
O             1.3335199190        1.7150659100       -0.0704730979
O             1.5179230920       -0.7534407660       -1.4472415690
O            -1.3833283640        1.3206549140       -0.1212192751
O            -1.3153272440       -1.1261318500       -1.5098716720
O            -0.7808666934       -1.1349923880        1.2940220970
H             1.5296614010       -0.0913682308        2.9833359950
H             0.9831181773       -0.5888500856        1.6077411970
H             1.5533213430        0.9809987023       -0.6852253369
H             1.6282381460        1.3660428780        0.8011651928
H             2.0379730830       -1.5472598850       -1.4589230120
H             0.5797730903       -1.0466239390       -1.5480507770
H            -1.8968523070        2.1241766060       -0.0022918934
H            -0.4233690322        1.5952683900       -0.1166673041
H            -1.4628064380       -0.2197050399       -1.1424381860
H            -2.0127061320       -1.2762170570       -2.1532426340
H            -1.0987018460       -0.2230576591        1.1616561720
H            -1.0169250700       -1.5743081310        0.4572866966
    18
 Energy=    -42.7213804327521
O             1.7448308260       -0.0864470693        2.0254288250
O             1.3335273450        1.7188401970       -0.0685203193
O             1.5081910780       -0.7482967335       -1.4327770420
O            -1.3830333840        1.3208666040       -0.1214203626
O            -1.3125510170       -1.1255263120       -1.5098663950
O            -0.7847627064       -1.1361420830        1.2966588200
H             1.5114672370       -0.1007153035        2.9746704990
H             0.9849550802       -0.5927566550        1.5956585180
H             1.5543291280        0.9829001780       -0.6831201731
H             1.6291074970        1.3717460910        0.8009890453
H             2.0452909070       -1.5578639300       -1.4605685460
H             0.5828622056       -1.0471325440       -1.5401723410
H            -1.8975270530        2.1241125420       -0.0017610480
H            -0.4236111139        1.5965388440       -0.1165772981
H            -1.4622637920       -0.2198909970       -1.1410111590
H            -2.0121053250       -1.2771254440       -2.1521752900
H            -1.0999779510       -0.2209073020        1.1639066070
H            -1.0227217660       -1.5756962680        0.4615184270
    18
 Energy=    -42.0453978324923
O             1.7861796850       -0.0776272472        1.9950548970
O             1.3339929590        1.7430249170       -0.0666614261
O             1.5077740380       -0.7794129183       -1.3024805120
O            -1.3810938740        1.3234030000       -0.1223912219
O            -1.2913981260       -1.1181847850       -1.5091536570
O            -0.8513701524       -1.1279784620        1.3480284140
H             1.3425770530       -0.1829083710        2.8496994550
H             1.1739395080       -0.5900528862        1.4127593180
H             1.5627757170        1.0038156240       -0.6731175111
H             1.6248894850        1.4044076640        0.8089488116
H             2.0570961460       -1.5520679070       -1.4749141150
H             0.5826612994       -1.0544939760       -1.4778430670
H            -1.9011342950        2.1224659860        0.0024962790
H            -0.4240145218        1.6060499020       -0.1145532134
H            -1.4587383680       -0.2192477516       -1.1313493400
H            -1.9990512700       -1.2851781240       -2.1381697760
H            -1.1192975230       -0.2075841382        1.1713602100
H            -1.0497805620       -1.5819267110        0.5131472237
    18
 Energy=    -41.8184720690128
O             1.7884524810       -0.0743612169        1.9970068980
O             1.3339129350        1.7393047130       -0.0668299814
O             1.5072420850       -0.7719715908       -1.3228210120
O            -1.3814286400        1.3230134820       -0.1222630563
O            -1.2947825710       -1.1194163860       -1.5093263720
O            -0.8402215086       -1.1297926370        1.3397628400
H             1.3664922860       -0.1708439815        2.8747171890
H             1.1377482880       -0.5938003350        1.4404404490
H             1.5614295280        1.0003640150       -0.6746664698
H             1.6257236170        1.3993753700        0.8076288451
H             2.0565753050       -1.5552405810       -1.4731583540
H             0.5819118197       -1.0537157680       -1.4879013410
H            -1.9005660260        2.1227391600        0.0018166533
H            -0.4239885677        1.6045490850       -0.1148840521
H            -1.4592964640       -0.2193752530       -1.1328440420
H            -2.0012170250       -1.2838762480       -2.1404528250
H            -1.1161770560       -0.2092869603        1.1702593590
H            -1.0458032920       -1.5811610530        0.5043760396
    18
 Energy=    -41.8022876435090
O             1.7932468630       -0.0775221967        1.9889568920
O             1.3343351190        1.7504531990       -0.0659947062
O             1.5073537440       -0.7908993828       -1.2601710520
O            -1.3803102130        1.3243156610       -0.1226707149
O            -1.2844974290       -1.1156553320       -1.5088031480
O            -0.8739936327       -1.1248235740        1.3652311110
H             1.2884723410       -0.2094453613        2.8061623830
H             1.2413136150       -0.5872922130        1.3514454190
H             1.5654984150        1.0107979720       -0.6701133756
H             1.6230025710        1.4147828820        0.8113276844
H             2.0604681430       -1.5487708820       -1.4796074980
H             0.5834847882       -1.0564214220       -1.4573338950
H            -1.9022522600        2.1218770490        0.0038710158
H            -0.4242443933        1.6090470230       -0.1138668434
H            -1.4575995460       -0.2190148055       -1.1282978230
H            -1.9946245520       -1.2878273910       -2.1335235880
H            -1.1258086060       -0.2034982128        1.1734784090
H            -1.0578377710       -1.5835992000        0.5307704984
    18
 Energy=    -41.7872160565430
O             1.7936057210       -0.0779127202        1.9881722550
O             1.3343753300        1.7515664300       -0.0659141656
O             1.5073776020       -0.7928192605       -1.2539200500
O            -1.3801986520        1.3244452770       -0.1227108129
O            -1.2834703940       -1.1152796950       -1.5087498370
O            -0.8773662004       -1.1243208710        1.3677736630
H             1.2807237010       -0.2132781460        2.7992795690
H             1.2517299680       -0.5865945153        1.3425692290
H             1.5659047540        1.0118413080       -0.6696583396
H             1.6227311660        1.4163204670        0.8116979635
H             2.0608356060       -1.5480952350       -1.4802466740
H             0.5836512606       -1.0566905840       -1.4542793500
H            -1.9024206780        2.1217909810        0.0040761914
H            -0.4242688159        1.6094964880       -0.1137654596
H            -1.4574299900       -0.2189784839       -1.1278442690
H            -1.9939651620       -1.2882220990       -2.1328309700
H            -1.1267703920       -0.2029256211        1.1737998230
H            -1.0590376290       -1.5838399060        0.5334120012
    18
 Energy=    -41.7586002827493
O             1.7936425720       -0.0800018384        1.9856229620
O             1.3344878840        1.7553502280       -0.0656729185
O             1.5075941290       -0.7996190891       -1.2327614450
O            -1.3798233790        1.3248792550       -0.1228410304
O            -1.2799846370       -1.1140061370       -1.5085589850
O            -0.8888022479       -1.1225549910        1.3763918100
H             1.2548633080       -0.2260457949        2.7756172550
H             1.2877907110       -0.5837483943        1.3125731900
H             1.5672849890        1.0153937860       -0.6681074444
H             1.6218201260        1.4215307210        0.8129674499
H             2.0618662430       -1.5455180160       -1.4823588210
H             0.5843034737       -1.0576014200       -1.4438968670
H            -1.9029933680        2.1215000040        0.0047729731
H            -0.4243382151        1.6110265290       -0.1134237273
H            -1.4568538690       -0.2188515319       -1.1263082870
H            -1.9917188570       -1.2895628960       -2.1304748960
H            -1.1300330680       -0.2010356156        1.1748922470
H            -1.0630985980       -1.5846309850        0.5424273011
    18
 Energy=    -41.7480751756335
O             1.7921574310       -0.0828225530        1.9834903270
O             1.3345491940        1.7586589480       -0.0655101429
O             1.5079714920       -0.8058886903       -1.2144146500
O            -1.3795033810        1.3252471730       -0.1229470446
O            -1.2769481710       -1.1129010920       -1.5083800870
O            -0.8987374444       -1.1209455900        1.3838802360
H             1.2329352540       -0.2368221439        2.7546989480
H             1.3200709660       -0.5806636947        1.2866099280
H             1.5684897220        1.0184991880       -0.6667461094
H             1.6210470820        1.4260578500        0.8140945466
H             2.0624785350       -1.5429197100       -1.4841130150
H             0.5849739858       -1.0584010500       -1.4348440910
H            -1.9034943290        2.1212494230        0.0053804750
H            -0.4243782606        1.6123666720       -0.1131295797
H            -1.4563520370       -0.2187352196       -1.1249741300
H            -1.9897543440       -1.2907318050       -2.1284178000
H            -1.1328719150       -0.1994568910        1.1758461350
H            -1.0666265830       -1.5852870000        0.5503368198
    18
 Energy=    -41.7416460709319
O             1.7908725390       -0.0845121282        1.9825923160
O             1.3345583100        1.7602153630       -0.0654617364
O             1.5082461390       -0.8089400280       -1.2058880250
O            -1.3793597090        1.3254128350       -0.1229937965
O            -1.2755302950       -1.1123887480       -1.5082915070
O            -0.9033595330       -1.1201707780        1.3873698170
H             1.2229846620       -0.2416897265        2.7448156500
H             1.3354251990       -0.5790302935        1.2745011810
H             1.5690538640        1.0199502540       -0.6661051671
H             1.6206997870        1.4281635440        0.8146362659
H             2.0626452760       -1.5415719120       -1.4848883730
H             0.5853090504       -1.0587857430       -1.4306243770
H            -1.9037295170        2.1211347370        0.0056643314
H            -0.4243856605        1.6129964550       -0.1129938242
H            -1.4561184200       -0.2186776605       -1.1243523810
H            -1.9888363570       -1.2912776310       -2.1274571800
H            -1.1341960610       -0.1987441734        1.1762913220
H            -1.0682720770       -1.5855805530        0.5540462519
    18
 Energy=    -41.7403651320289
O             1.7907628950       -0.0846826986        1.9825197950
O             1.3345507860        1.7604138840       -0.0654696919
O             1.5083099820       -0.8092842758       -1.2048429720
O            -1.3793461520        1.3254304550       -0.1229990652
O            -1.2753573580       -1.1123298930       -1.5082796470
O            -0.9039101978       -1.1200813780        1.3878059200
H             1.2217515150       -0.2422584623        2.7437553160
H             1.3372623100       -0.5788925834        1.2728674380
H             1.5691237470        1.0201221540       -0.6660268389
H             1.6206642150        1.4284142490        0.8147107190
H             2.0626592350       -1.5414161910       -1.4849868780
H             0.5853267921       -1.0588492740       -1.4301253330
H            -1.9037583680        2.1211221080        0.0056988100
H            -0.4243818092        1.6130747440       -0.1129777474
H            -1.4560912950       -0.2186679022       -1.1242765260
H            -1.9887265670       -1.2913436470       -2.1273420120
H            -1.1343601230       -0.1986515201        1.1763400930
H            -1.0684724120       -1.5856159540        0.5544893882
    18
 Energy=    -41.7309851725263
O             1.7917321730       -0.0852568229        1.9798828720
O             1.3349235010        1.7632230140       -0.0652871065
O             1.5085978080       -0.8142088761       -1.1902098890
O            -1.3790494030        1.3257189880       -0.1230451750
O            -1.2727822820       -1.1113291650       -1.5080466910
O            -0.9123890554       -1.1183045830        1.3944008030
H             1.2021634420       -0.2531482743        2.7229741440
H             1.3629667980       -0.5769621969        1.2542812120
H             1.5700345930        1.0226985530       -0.6649616771
H             1.6194889790        1.4317371950        0.8156236567
H             2.0637990130       -1.5393320550       -1.4862240700
H             0.5857519510       -1.0593147110       -1.4218516920
H            -1.9041700490        2.1208785810        0.0062199238
H            -0.4244240716        1.6141407560       -0.1127118107
H            -1.4556376260       -0.2184500874       -1.1232530420
H            -1.9869780810       -1.2923539070       -2.1255782000
H            -1.1372236750       -0.1969846212        1.1771349340
H            -1.0707968170       -1.5862479740        0.5615125768
    18
 Energy=    -41.7415611975305
O             1.7929423870       -0.0857347705        1.9769847180
O             1.3353528400        1.7662116160       -0.0650727005
O             1.5088617130       -0.8194452017       -1.1746705080
O            -1.3787265410        1.3260283580       -0.1230919101
O            -1.2700359550       -1.1102537430       -1.5077938120
O            -0.9214423198       -1.1163788370        1.4014380930
H             1.1812131360       -0.2649206804        2.7004650500
H             1.3902365060       -0.5749207633        1.2348420100
H             1.5709960300        1.0254469550       -0.6638319514
H             1.6181928570        1.4352531300        0.8165826198
H             2.0650771540       -1.5371254000       -1.4875300540
H             0.5862179784       -1.0597805600       -1.4129684000
H            -1.9046078760        2.1206153560        0.0067764506
H            -0.4244752718        1.6152712080       -0.1124267198
H            -1.4551501950       -0.2182130546       -1.1221686060
H            -1.9851053480       -1.2934331410       -2.1236935380
H            -1.1403064880       -0.1951860382        1.1779889560
H            -1.0732334110       -1.5869306180        0.5690310708
    18
 Energy=    -41.7477085529176
O             1.7952256010       -0.0846917691        1.9751765860
O             1.3357415200        1.7677387930       -0.0649259671
O             1.5089191200       -0.8217583527       -1.1672232830
O            -1.3785454070        1.3261776700       -0.1230930512
O            -1.2686402710       -1.1096761120       -1.5076228660
O            -0.9260154167       -1.1152067120        1.4051225030
H             1.1699124890       -0.2718997621        2.6876013800
H             1.4028080310       -0.5744936310        1.2265532830
H             1.5714182450        1.0268103650       -0.6633031705
H             1.6172678320        1.4367841800        0.8170275038
H             2.0661470480       -1.5362005540       -1.4881237290
H             0.5863588414       -1.0599214960       -1.4081420950
H            -1.9048220910        2.1204655240        0.0070639068
H            -0.4245104694        1.6158098240       -0.1122749085
H            -1.4548862730       -0.2180339497       -1.1216706140
H            -1.9841107700       -1.2939909770       -2.1227248390
H            -1.1421106330       -0.1940736322        1.1784262470
H            -1.0741502020       -1.5873355930        0.5729938811
    18
 Energy=    -41.7851364947759
O             1.8014996910       -0.0826207578        1.9671428330
O             1.3374580420        1.7750875300       -0.0643992179
O             1.5098696050       -0.8336029535       -1.1320562430
O            -1.3777166330        1.3268506330       -0.1230744145
O            -1.2619814960       -1.1069442860       -1.5067664160
O            -0.9477009749       -1.1094360740        1.4226165720
H             1.1185689420       -0.3037208538        2.6254641300
H             1.4646667780       -0.5711591896        1.1870673160
H             1.5734471540        1.0333301420       -0.6607428917
H             1.6129454910        1.4440468210        0.8192452243
H             2.0703921650       -1.5309041150       -1.4905283200
H             0.5872265323       -1.0606798150       -1.3851702420
H            -1.9058517410        2.1197630490        0.0084373338
H            -0.4246024046        1.6184111790       -0.1115629627
H            -1.4536287690       -0.2171550117       -1.1193046380
H            -1.9793508000       -1.2966548380       -2.1180957090
H            -1.1507249010       -0.1889579928        1.1805209330
H            -1.0785094850       -1.5891496530        0.5920674790
    18
 Energy=    -41.9198118409527
O             1.8013452810       -0.0842326287        1.9611812030
O             1.3386675060        1.7808038160       -0.0641458197
O             1.5112861150       -0.8437044685       -1.1055191270
O            -1.3771163660        1.3273276340       -0.1230374497
O            -1.2568628780       -1.1048589920       -1.5060749510
O            -0.9642856502       -1.1047924480        1.4359183780
H             1.0821901720       -0.3266945922        2.5761676780
H             1.5139598990       -0.5670180102        1.1577806000
H             1.5750157040        1.0383698870       -0.6587348911
H             1.6096896440        1.4495796410        0.8210486236
H             2.0727591950       -1.5258323820       -1.4918338720
H             0.5881303860       -1.0612877250       -1.3674752040
H            -1.9066525510        2.1192328900        0.0094968615
H            -0.4245968840        1.6204415790       -0.1110252666
H            -1.4526579480       -0.2164575659       -1.1174953480
H            -1.9756663230       -1.2987071780       -2.1145198690
H            -1.1573545180       -0.1852372088        1.1821740180
H            -1.0818435870       -1.5904284330        0.6069552029
    18
 Energy=    -42.0514452480364
O             1.7989647490       -0.0864950383        1.9582604240
O             1.3392246300        1.7835230060       -0.0640122765
O             1.5121144350       -0.8488463648       -1.0930688200
O            -1.3768157110        1.3275540210       -0.1230015763
O            -1.2544186700       -1.1038531260       -1.5057167540
O            -0.9721434086       -1.1024518320        1.4421847540
H             1.0663145520       -0.3369401190        2.5519901580
H             1.5381977830       -0.5644010603        1.1442677340
H             1.5757643650        1.0408050190       -0.6577591841
H             1.6081195900        1.4522245200        0.8218756001
H             2.0735649840       -1.5230869320       -1.4922301370
H             0.5887761065       -1.0615852430       -1.3589539740
H            -1.9070357250        2.1189743880        0.0100053101
H            -0.4245874349        1.6214189630       -0.1107743902
H            -1.4521844410       -0.2161210142       -1.1166441060
H            -1.9738733770       -1.2996929630       -2.1127900270
H            -1.1605601590       -0.1835459579        1.1829983540
H            -1.0834150730       -1.5909764530        0.6142296777
    18
 Energy=    -42.4874237214780
O             1.7907752690       -0.0950048741        1.9452748210
O             1.3416251620        1.7950533100       -0.0634332925
O             1.5155801020       -0.8703172941       -1.0400327170
O            -1.3755221550        1.3285402820       -0.1228442882
O            -1.2440241900       -1.0995713960       -1.5041858340
O            -1.0055173560       -1.0925174400        1.4689103070
H             0.9975068883       -0.3810129444        2.4502030710
H             1.6405863340       -0.5539394714        1.0863017410
H             1.5789360360        1.0511746930       -0.6536245786
H             1.6013969900        1.4634677960        0.8253873788
H             2.0772229740       -1.5117367740       -1.4939973190
H             0.5913972892       -1.0628919060       -1.3227364780
H            -1.9086543130        2.1178614120        0.0121674352
H            -0.4245752149        1.6255702480       -0.1097050548
H            -1.4501639020       -0.2146875501       -1.1130289410
H            -1.9662289120       -1.3038880270       -2.1054226810
H            -1.1742511880       -0.1762472429        1.1864996320
H            -1.0900826160       -1.5933490060        0.6451275656
    18
 Energy=    -42.5874884178665
O             1.7797999060       -0.1080657469        1.9234759350
O             1.3441490350        1.8064787500       -0.0627466745
O             1.5202449910       -0.8920348592       -0.9881215211
O            -1.3740320650        1.3296672770       -0.1224885612
O            -1.2334972000       -1.0951507580       -1.5023254280
O            -1.0381901810       -1.0815638780        1.4956222670
H             0.9296977075       -0.4246198216        2.3483092130
H             1.7434425920       -0.5413924826        1.0334850130
H             1.5819965580        1.0619561980       -0.6494805701
H             1.5940451030        1.4746328810        0.8287843281
H             2.0799015760       -1.4996622770       -1.4944794110
H             0.5948253443       -1.0645326480       -1.2854801340
H            -1.9102141380        2.1166021800        0.0143783014
H            -0.4246787810        1.6298017880       -0.1086470273
H            -1.4479669340       -0.2131525487       -1.1095282060
H            -1.9580589720       -1.3082041040       -2.0977114900
H            -1.1889578510       -0.1686424628        1.1903602060
H            -1.0964994950       -1.5956136740        0.6774545272
    18
 Energy=    -43.6587535932593
O             1.7351756190       -0.1520130086        1.8654888070
O             1.3484333350        1.8324246780       -0.0613037018
O             1.5338429900       -0.9237579552       -0.9149339947
O            -1.3706558340        1.3316928320       -0.1184456285
O            -1.2107331720       -1.0867634470       -1.4918017590
O            -1.0821616300       -1.0471832920        1.5476473210
H             0.8535692423       -0.5005170447        2.1134914380
H             1.8830747700       -0.5300691643        0.9722453754
H             1.5856816670        1.0848344110       -0.6429431781
H             1.5707742070        1.4881195670        0.8325911942
H             2.0876433760       -1.4810254390       -1.4903107570
H             0.6112798206       -1.0702251220       -1.2013135160
H            -1.9132805300        2.1144260730        0.0192240883
H            -0.4237937948        1.6388563260       -0.1068547432
H            -1.4402678960       -0.2075103280       -1.1046274840
H            -1.9367849740       -1.3184802520       -2.0804039470
H            -1.2314356380       -0.1481377446        1.2003840520
H            -1.1043543640       -1.5981672760        0.7527272004
    18
 Energy=    -43.8809811526262
O             1.7330931530       -0.1552481222        1.8618877700
O             1.3483245500        1.8340860320       -0.0618196965
O             1.5444216690       -0.9250640155       -0.9187183687
O            -1.3706894490        1.3317014300       -0.1174056643
O            -1.2094988430       -1.0871412440       -1.4900819170
O            -1.0796846220       -1.0422722640        1.5499274970
H             0.8534140766       -0.5047211357        2.0963889000
H             1.8799956500       -0.5328725217        0.9741161606
H             1.5852795860        1.0869136960       -0.6429655898
H             1.5678049520        1.4870226380        0.8328015640
H             2.0856046050       -1.4784062700       -1.4868252340
H             0.6088025677       -1.0721955170       -1.1967480680
H            -1.9134366090        2.1145313240        0.0196094402
H            -0.4234876867        1.6396731690       -0.1067719220
H            -1.4390020820       -0.2062792672       -1.1046032970
H            -1.9339060140       -1.3192955740       -2.0785681710
H            -1.2367005790       -0.1462271730        1.2016084570
H            -1.1043277270       -1.5977013700        0.7590289077
    18
 Energy=    -43.8958105169426
O             1.7319470240       -0.1566685333        1.8611459120
O             1.3480374580        1.8339595480       -0.0616455797
O             1.5437029210       -0.9236491068       -0.9203501379
O            -1.3706977130        1.3317452770       -0.1171040588
O            -1.2092545090       -1.0872712560       -1.4893530460
O            -1.0775651430       -1.0414870550        1.5497572900
H             0.8535064930       -0.5041696798        2.0969768500
H             1.8786770260       -0.5333268933        0.9751359332
H             1.5851918590        1.0870873940       -0.6433585689
H             1.5672770170        1.4865574920        0.8327193044
H             2.0861196600       -1.4793887520       -1.4877473890
H             0.6102878849       -1.0725735850       -1.1963862940
H            -1.9134131460        2.1146097370        0.0196441715
H            -0.4235644528        1.6397799260       -0.1067626050
H            -1.4386302060       -0.2060838187       -1.1047327450
H            -1.9334239000       -1.3194577850       -2.0783920950
H            -1.2377950870       -0.1456980997        1.2017327080
H            -1.1043959910       -1.5974609960        0.7595811193
    18
 Energy=    -43.9358162119616
O             1.7266824730       -0.1628582909        1.8561698080
O             1.3475401490        1.8356875720       -0.0612300705
O             1.5465502340       -0.9234851992       -0.9191436030
O            -1.3705738850        1.3320211830       -0.1159320333
O            -1.2069434880       -1.0872153830       -1.4867063700
O            -1.0755163850       -1.0363645940        1.5536910060
H             0.8444646349       -0.5098767435        2.0794041170
H             1.8882333110       -0.5339487301        0.9707815909
H             1.5852553630        1.0896122140       -0.6438752092
H             1.5639917790        1.4864473500        0.8330286435
H             2.0869346820       -1.4792503550       -1.4889665390
H             0.6133962490       -1.0744710260       -1.1892310040
H            -1.9136319470        2.1147170920        0.0201520698
H            -0.4236712629        1.6408706780       -0.1065594975
H            -1.4369211830       -0.2049781796       -1.1045860940
H            -1.9300468920       -1.3206891160       -2.0762432340
H            -1.2442652820       -0.1427213920        1.2029317620
H            -1.1054713550       -1.5969932650        0.7671754251
    18
 Energy=    -44.2060470710605
O             1.7007861760       -0.1967535195        1.8496698870
O             1.3386738440        1.8384195070       -0.0577744659
O             1.5738517750       -0.9004412837       -0.9566232797
O            -1.3725714190        1.3349817430       -0.1060695550
O            -1.1960858500       -1.0923243410       -1.4624978150
O            -1.0280651110       -0.9997086278        1.5635071020
H             0.7999036627       -0.5242865395        2.0263817660
H             1.8931514160       -0.5526014193        0.9663016681
H             1.5834755390        1.1030521200       -0.6524093930
H             1.5422853340        1.4737597650        0.8329995282
H             2.0941172440       -1.4914491630       -1.5067948800
H             0.6321839316       -1.0902725060       -1.1661688950
H            -1.9153930010        2.1187308100        0.0225936827
H            -0.4252818267        1.6454307660       -0.1046186725
H            -1.4212616650       -0.1974969286       -1.1057152520
H            -1.9065218990       -1.3280208450       -2.0642155230
H            -1.2853356480       -0.1270116706        1.2100499610
H            -1.1119053070       -1.5875040520        0.8022449033
    18
 Energy=    -44.2631901906615
O             1.7041039760       -0.1959000699        1.8607796450
O             1.3349390890        1.8341618110       -0.0570732647
O             1.5787326580       -0.8909749262       -0.9783249125
O            -1.3752171730        1.3365689790       -0.1054907963
O            -1.1968644860       -1.0952704010       -1.4565522240
O            -1.0154646480       -0.9969310987        1.5591184230
H             0.7980772987       -0.5146578143        2.0525137920
H             1.8747539060       -0.5592858917        0.9729731163
H             1.5828446080        1.1028299020       -0.6547246228
H             1.5413315180        1.4669554080        0.8323640580
H             2.0963778100       -1.4979215630       -1.5137047770
H             0.6335161817       -1.0908400580       -1.1762885220
H            -1.9162617160        2.1216578540        0.0222882122
H            -0.4265522104        1.6436607130       -0.1032425526
H            -1.4171731160       -0.1981486213       -1.1059567930
H            -1.9044868670       -1.3283622200       -2.0647460660
H            -1.2843946910       -0.1267389551        1.2102275840
H            -1.1122549430       -1.5842992340        0.7967004687
    18
 Energy=    -44.2884784435811
O             1.7026401540       -0.1986781335        1.8613549600
O             1.3326492630        1.8330326700       -0.0562177700
O             1.5822678270       -0.8887490297       -0.9868964839
O            -1.3774200420        1.3379431830       -0.1054921558
O            -1.1957405990       -1.0976105890       -1.4520487860
O            -1.0142626730       -0.9943072344        1.5601132650
H             0.7934102378       -0.5130810936        2.0529802980
H             1.8727488380       -0.5628073149        0.9731756872
H             1.5829508370        1.1041549940       -0.6557350255
H             1.5392803050        1.4630962940        0.8324252154
H             2.0984224150       -1.5001831130       -1.5172920080
H             0.6365561411       -1.0899875210       -1.1776628810
H            -1.9171290210        2.1240083710        0.0223480713
H            -0.4278552936        1.6428315540       -0.1017055846
H            -1.4139194240       -0.1981723661       -1.1050697910
H            -1.9013238630       -1.3290897920       -2.0636327520
H            -1.2850860020       -0.1240167078        1.2111481580
H            -1.1121819040       -1.5818803570        0.7990683517
    18
 Energy=    -44.5272717094394
O             1.6758282040       -0.2297883183        1.8415697140
O             1.3071992680        1.8193408290       -0.0412594354
O             1.6269030370       -0.8730892184       -1.0491638760
O            -1.4056053190        1.3547720640       -0.1101362345
O            -1.1782194220       -1.1222031630       -1.3997443380
O            -1.0481458460       -0.9598907735        1.5941400410
H             0.7512500265       -0.5099772075        2.0054003940
H             1.8748709770       -0.6020428036        0.9656131599
H             1.5871702690        1.1227744020       -0.6655755763
H             1.5144620460        1.4205139090        0.8347289971
H             2.1223991070       -1.5213174020       -1.5573258110
H             0.6738828276       -1.0740537050       -1.1922859000
H            -1.9266756400        2.1533283130        0.0223680560
H            -0.4493702311        1.6351809970       -0.0813936276
H            -1.3780716620       -0.2058754589       -1.0878182500
H            -1.8579952900       -1.3371244080       -2.0450150550
H            -1.2849790230       -0.0882244385        1.2242326800
H            -1.1088961320       -1.5558198040        0.8325258303
    18
 Energy=    -44.5466303459560
O             1.6740372180       -0.2302215211        1.8373815710
O             1.3050591540        1.8174521760       -0.0394951310
O             1.6305776410       -0.8734790414       -1.0489198410
O            -1.4080286870        1.3558068160       -0.1109889265
O            -1.1754404650       -1.1232617720       -1.3959654520
O            -1.0575013690       -0.9577206439        1.5983194910
H             0.7506445303       -0.5118285361        1.9981869480
H             1.8770685050       -0.6049276675        0.9640114724
H             1.5879685500        1.1242935680       -0.6661601215
H             1.5131611640        1.4171978570        0.8354611648
H             2.1229407880       -1.5215332740       -1.5599164910
H             0.6778280692       -1.0723538170       -1.1959448850
H            -1.9272265310        2.1555217340        0.0219945406
H            -0.4518234882        1.6356308790       -0.0801094199
H            -1.3767532450       -0.2078554533       -1.0846161400
H            -1.8539512350       -1.3378241040       -2.0430141830
H            -1.2837933280       -0.0857079651        1.2254178280
H            -1.1087600740       -1.5526854200        0.8352183424
    18
 Energy=    -44.5777782579254
O             1.6706326560       -0.2327996575        1.8324338610
O             1.2997617910        1.8138479030       -0.0369968075
O             1.6384429780       -0.8713493430       -1.0545669780
O            -1.4118291590        1.3578007100       -0.1110386916
O            -1.1688046630       -1.1257795920       -1.3880332750
O            -1.0659714580       -0.9522544555        1.6045669260
H             0.7471947327       -0.5142048213        1.9910955570
H             1.8773102750       -0.6116184396        0.9622688607
H             1.5890337670        1.1273393140       -0.6677691619
H             1.5102077600        1.4090367600        0.8370521392
H             2.1248578700       -1.5234902820       -1.5667352230
H             0.6857739807       -1.0708901000       -1.2043013670
H            -1.9288753410        2.1591402120        0.0211443122
H            -0.4555259161        1.6373073560       -0.0788996268
H            -1.3746069330       -0.2099366770       -1.0777071340
H            -1.8452333840       -1.3401302700       -2.0389642180
H            -1.2861423610       -0.0796534029        1.2276115930
H            -1.1102194000       -1.5458614000        0.8397000029
    18
 Energy=    -44.6214197705428
O             1.6648768480       -0.2374770587        1.8241495960
O             1.2902500280        1.8063515120       -0.0295740679
O             1.6521305320       -0.8692633783       -1.0652433920
O            -1.4174462760        1.3613437410       -0.1095878805
O            -1.1565606470       -1.1259232940       -1.3748335790
O            -1.0784009300       -0.9402563596        1.6130552730
H             0.7403396127       -0.5207449615        1.9798473670
H             1.8783003500       -0.6237179641        0.9578670353
H             1.5908596510        1.1327436090       -0.6707157730
H             1.5042426690        1.3948407200        0.8371279289
H             2.1292662250       -1.5257165200       -1.5792427190
H             0.7003011733       -1.0687391420       -1.2207806850
H            -1.9326089200        2.1638871330        0.0190563683
H            -0.4609400737        1.6422493020       -0.0790497781
H            -1.3721814340       -0.2162200971       -1.0633793900
H            -1.8265498010       -1.3454925590       -2.0294622960
H            -1.2947928050       -0.0693782631        1.2330833090
H            -1.1150790060       -1.5319826080        0.8485434506
    18
 Energy=    -44.7322031508768
O             1.6584930780       -0.2476931723        1.8173427200
O             1.2736961050        1.7948730680       -0.0231965868
O             1.6717667890       -0.8679700100       -1.0976166580
O            -1.4246377770        1.3684280840       -0.1046815358
O            -1.1326108310       -1.1280471730       -1.3541032940
O            -1.0861265960       -0.9195755794        1.6219739210
H             0.7319052445       -0.5268587644        1.9846394240
H             1.8682807770       -0.6449712172        0.9535593851
H             1.5919704240        1.1415660880       -0.6738405854
H             1.4949273210        1.3656033650        0.8388178133
H             2.1470042810       -1.5313222970       -1.6032931250
H             0.7191952158       -1.0614103930       -1.2523774710
H            -1.9427622010        2.1705367950        0.0145315424
H            -0.4674831863        1.6503195250       -0.0828127857
H            -1.3705299540       -0.2217949904       -1.0342996550
H            -1.7945475990       -1.3574200420       -2.0141836850
H            -1.3161050630       -0.0476265862        1.2443226840
H            -1.1264288330       -1.5101328840        0.8560786578
    18
 Energy=    -44.7736037248676
O             1.6566794220       -0.2546645308        1.8123199090
O             1.2691844930        1.7897211670       -0.0204321698
O             1.6798873470       -0.8717323322       -1.1093986590
O            -1.4270579100        1.3713620250       -0.1016625771
O            -1.1205860950       -1.1249732720       -1.3464141750
O            -1.0923582090       -0.9081740475        1.6249123970
H             0.7301495703       -0.5332752421        1.9839171010
H             1.8656301400       -0.6532620857        0.9496113664
H             1.5915034220        1.1463740550       -0.6740738985
H             1.4889633080        1.3530328570        0.8380562600
H             2.1605314980       -1.5324205000       -1.6147668990
H             0.7244996745       -1.0561495760       -1.2658526090
H            -1.9494632490        2.1722376520        0.0116997426
H            -0.4695638168        1.6551455660       -0.0866754220
H            -1.3712070730       -0.2259597235       -1.0181598540
H            -1.7771147330       -1.3643460510       -2.0047524610
H            -1.3301050550       -0.0365049037        1.2526883210
H            -1.1335655370       -1.4999072430        0.8598443970
    18
 Energy=    -44.7988045062170
O             1.6538593100       -0.2618772721        1.8066077340
O             1.2664143320        1.7894077040       -0.0166394698
O             1.6868700730       -0.8753861417       -1.1159247730
O            -1.4302511600        1.3746269960       -0.1004986199
O            -1.1109258620       -1.1239566750       -1.3383709140
O            -1.1015388590       -0.8997365365        1.6304355840
H             0.7276606002       -0.5390277589        1.9745116500
H             1.8673689500       -0.6594163830        0.9445085200
H             1.5923060930        1.1483369500       -0.6767672362
H             1.4829961810        1.3447845150        0.8379218067
H             2.1694526240       -1.5323338780       -1.6223395100
H             0.7302466495       -1.0521661300       -1.2716465830
H            -1.9534967260        2.1738532010        0.0098475120
H            -0.4730430224        1.6572170150       -0.0875736170
H            -1.3697480900       -0.2283019690       -1.0080980030
H            -1.7659571670       -1.3690475520       -1.9989365210
H            -1.3386812390       -0.0276020352        1.2590409340
H            -1.1375254920       -1.4928702340        0.8647822744
    18
 Energy=    -44.8099378169696
O             1.6547314380       -0.2631582637        1.8061460660
O             1.2694973890        1.7910324940       -0.0173613470
O             1.6855798120       -0.8764004022       -1.1115709700
O            -1.4300217890        1.3736729870       -0.1008946564
O            -1.1116676040       -1.1229673270       -1.3398419350
O            -1.1027663970       -0.9006170454        1.6301499000
H             0.7287833738       -0.5401987962        1.9712545370
H             1.8693275730       -0.6573453191        0.9434377816
H             1.5919141310        1.1477630240       -0.6766445338
H             1.4823142880        1.3475508280        0.8373963075
H             2.1694575580       -1.5312726680       -1.6208791910
H             0.7288089686       -1.0527227070       -1.2681141120
H            -1.9534382140        2.1732596890        0.0098863398
H            -0.4727226610        1.6568668820       -0.0875539529
H            -1.3699957650       -0.2278322674       -1.0097300760
H            -1.7677577390       -1.3685285690       -1.9992977760
H            -1.3386905240       -0.0287013603        1.2596281850
H            -1.1373466410       -1.4938973640        0.8648502009
    18
 Energy=    -44.8258262808946
O             1.6562797240       -0.2674604049        1.8046652840
O             1.2736318620        1.7929888450       -0.0183519811
O             1.6862214480       -0.8778426517       -1.1071661470
O            -1.4311901400        1.3731212580       -0.1014656457
O            -1.1101426540       -1.1216048520       -1.3397493890
O            -1.1076010070       -0.9004086055        1.6314783250
H             0.7302364146       -0.5427262179        1.9666566060
H             1.8714961990       -0.6562388352        0.9402648980
H             1.5913974220        1.1474097850       -0.6771102829
H             1.4796203550        1.3489136620        0.8368537435
H             2.1709767900       -1.5295602450       -1.6213293770
H             0.7295025421       -1.0531959600       -1.2660192210
H            -1.9544787230        2.1730938880        0.0091563535
H            -0.4738831572        1.6568434570       -0.0874968506
H            -1.3698067240       -0.2278775416       -1.0093934920
H            -1.7670633190       -1.3687305920       -1.9976938280
H            -1.3407201770       -0.0279061014        1.2623156300
H            -1.1384696600       -1.4923150730        0.8652461413
    18
 Energy=    -44.8480273760519
O             1.6585003560       -0.2772927805        1.8025752660
O             1.2780525710        1.7945945180       -0.0193054365
O             1.6910743870       -0.8787144621       -1.1066675630
O            -1.4340303860        1.3733033690       -0.1017666140
O            -1.1042129980       -1.1203939790       -1.3359726140
O            -1.1149454690       -0.8969671452        1.6349216010
H             0.7308212346       -0.5470114492        1.9619728730
H             1.8718946330       -0.6580754992        0.9342552242
H             1.5906980330        1.1477912840       -0.6786219060
H             1.4733959270        1.3468822540        0.8356314077
H             2.1753880760       -1.5273600820       -1.6259380260
H             0.7346309997       -1.0540683770       -1.2668757650
H            -1.9578845650        2.1742711860        0.0071522790
H            -0.4776803415        1.6574764410       -0.0875411670
H            -1.3683719080       -0.2280360527       -1.0054082990
H            -1.7614651340       -1.3706250390       -1.9926701070
H            -1.3476350720       -0.0235859715        1.2687355570
H            -1.1422231500       -1.4856843990        0.8663840572
    18
 Energy=    -44.8895198348918
O             1.6636284870       -0.3018260012        1.7991669470
O             1.2785579150        1.7927671410       -0.0213285981
O             1.7079350180       -0.8760063807       -1.1187150420
O            -1.4442365110        1.3776392330       -0.1015062529
O            -1.0883352440       -1.1200492930       -1.3218983440
O            -1.1288223200       -0.8863097747        1.6437771820
H             0.7322078639       -0.5561227626        1.9640524170
H             1.8625186640       -0.6692159968        0.9204661521
H             1.5910429930        1.1486872710       -0.6822152519
H             1.4612300110        1.3364452980        0.8313664107
H             2.1890011700       -1.5222148320       -1.6421518690
H             0.7519641083       -1.0572698260       -1.2747690850
H            -1.9672332410        2.1780187780        0.0001498487
H            -0.4882680810        1.6600638100       -0.0874607879
H            -1.3604334870       -0.2275986215       -0.9935583536
H            -1.7437168120       -1.3769472980       -1.9776813050
H            -1.3677419640       -0.0100275142        1.2871480570
H            -1.1532913750       -1.4635294180        0.8660186426
    18
 Energy=    -44.9208344617761
O             1.6650031810       -0.3203699773        1.7935210590
O             1.2689385120        1.7876206550       -0.0231939299
O             1.7227329930       -0.8714756586       -1.1306766450
O            -1.4521575260        1.3816220970       -0.1013099396
O            -1.0778662820       -1.1213991270       -1.3086119310
O            -1.1383552850       -0.8771268593        1.6515848590
H             0.7314970539       -0.5664886273        1.9635397210
H             1.8542801520       -0.6806861530        0.9089319209
H             1.5942052530        1.1489348740       -0.6843593869
H             1.4570976220        1.3290283280        0.8275682920
H             2.2019714740       -1.5164936670       -1.6553443780
H             0.7663355915       -1.0611705750       -1.2755700800
H            -1.9755385960        2.1832394560       -0.0063195423
H            -0.4965479283        1.6625752020       -0.0864727303
H            -1.3488433190       -0.2253098402       -0.9873197609
H            -1.7305779980       -1.3822337620       -1.9651354140
H            -1.3846258870        0.0008862045        1.3037261880
H            -1.1615418160       -1.4446487550        0.8663024662
    18
 Energy=    -44.9456659429523
O             1.6662146580       -0.3294641214        1.7869766270
O             1.2598053010        1.7815313850       -0.0253829120
O             1.7297624160       -0.8698616759       -1.1317552700
O            -1.4572680310        1.3839188770       -0.1016721210
O            -1.0721873720       -1.1219029940       -1.3021076560
O            -1.1467019260       -0.8742033508        1.6560983860
H             0.7345770345       -0.5767097710        1.9625720120
H             1.8503560400       -0.6869186090        0.9000948869
H             1.5974312700        1.1476905780       -0.6852199327
H             1.4593233600        1.3288122250        0.8254402800
H             2.2109271510       -1.5089375360       -1.6611656300
H             0.7736825137       -1.0645520770       -1.2716385640
H            -1.9807440300        2.1858598570       -0.0118464269
H            -0.5006408123        1.6650925090       -0.0863024690
H            -1.3407301440       -0.2221650072       -0.9860637473
H            -1.7259962310       -1.3848776850       -1.9571669120
H            -1.3950410050        0.0065828988        1.3159540980
H            -1.1667629950       -1.4333916890        0.8640461195
    18
 Energy=    -44.9705322346823
O             1.6669147990       -0.3336175130        1.7767525140
O             1.2568843570        1.7767318760       -0.0282560557
O             1.7316579560       -0.8705308757       -1.1202931550
O            -1.4618509450        1.3855651600       -0.1039542466
O            -1.0696670820       -1.1201441560       -1.2995672220
O            -1.1537584320       -0.8764329374        1.6571379940
H             0.7388502945       -0.5890227166        1.9566883250
H             1.8514375940       -0.6903383389        0.8901856907
H             1.5965873790        1.1431113920       -0.6875261615
H             1.4640916220        1.3342808500        0.8268216924
H             2.2196544390       -1.4969181900       -1.6620975680
H             0.7763676296       -1.0684675730       -1.2591638300
H            -1.9845207770        2.1889936430       -0.0198036827
H            -0.5041378408        1.6657385550       -0.0855840687
H            -1.3320787970       -0.2182195422       -0.9909581462
H            -1.7289493590       -1.3845444800       -1.9485195900
H            -1.4006733940        0.0078429198        1.3287714450
H            -1.1708022470       -1.4275242570        0.8602268334
    18
 Energy=    -44.9747272973864
O             1.6659717190       -0.3330795581        1.7744697940
O             1.2583093600        1.7766613770       -0.0275024430
O             1.7326189470       -0.8705199547       -1.1191236820
O            -1.4633379260        1.3864109680       -0.1046832661
O            -1.0682293150       -1.1197213300       -1.2985105690
O            -1.1528269990       -0.8766761916        1.6570454330
H             0.7385197926       -0.5903108490        1.9557330820
H             1.8508469520       -0.6923355921        0.8890452193
H             1.5937835010        1.1417919030       -0.6877530919
H             1.4638169170        1.3326137380        0.8270960741
H             2.2213540800       -1.4947102850       -1.6628418110
H             0.7773938871       -1.0687973610       -1.2585552940
H            -1.9849048680        2.1908082810       -0.0224496770
H            -0.5051816274        1.6654490980       -0.0852094703
H            -1.3305262700       -0.2174896428       -0.9905246493
H            -1.7291647570       -1.3847380070       -1.9456713630
H            -1.4006646350        0.0079518700        1.3307644720
H            -1.1717715610       -1.4268046490        0.8595320094
    18
 Energy=    -44.9848420725873
O             1.6624442830       -0.3335829828        1.7671578920
O             1.2577380530        1.7756625870       -0.0251361827
O             1.7374462810       -0.8698183237       -1.1176880000
O            -1.4675526270        1.3904811330       -0.1068423961
O            -1.0624965580       -1.1175955100       -1.2935477640
O            -1.1499853590       -0.8769043234        1.6579527680
H             0.7364230126       -0.5946532595        1.9529551180
H             1.8475904590       -0.7003183904        0.8843522885
H             1.5843259550        1.1374745870       -0.6866938272
H             1.4631181340        1.3238612190        0.8260895993
H             2.2284429070       -1.4864869320       -1.6673052180
H             0.7830083257       -1.0707259140       -1.2583771400
H            -1.9862241290        2.1976820830       -0.0338081745
H            -0.5090717472        1.6661304650       -0.0835170765
H            -1.3240310660       -0.2141909940       -0.9862266191
H            -1.7282317390       -1.3873339650       -1.9337614350
H            -1.4014929730        0.0090135151        1.3384179940
H            -1.1754440150       -1.4221911800        0.8568389425
    18
 Energy=    -44.9888082059803
O             1.6622942910       -0.3367311023        1.7669275020
O             1.2534333480        1.7739126090       -0.0248186005
O             1.7392708690       -0.8696007749       -1.1186430890
O            -1.4671134790        1.3922390850       -0.1068162334
O            -1.0603971240       -1.1162260510       -1.2916631260
O            -1.1501939060       -0.8771113596        1.6586862160
H             0.7354333009       -0.5950947658        1.9523911180
H             1.8462268580       -0.7018564736        0.8827761210
H             1.5823040760        1.1369995470       -0.6864366085
H             1.4623454810        1.3208579690        0.8253486501
H             2.2309591510       -1.4837356760       -1.6696678990
H             0.7852871455       -1.0721632550       -1.2596769460
H            -1.9863446070        2.1992618050       -0.0387997315
H            -0.5093960317        1.6681071520       -0.0827634533
H            -1.3226320840       -0.2129719449       -0.9834751077
H            -1.7273807820       -1.3889606200       -1.9288969930
H            -1.4021112320        0.0096798830        1.3406439510
H            -1.1759780780       -1.4201022120        0.8557449971
    18
 Energy=    -44.9916145599838
O             1.6623642980       -0.3389682070        1.7671468100
O             1.2507827210        1.7724761010       -0.0244109038
O             1.7398878520       -0.8697432181       -1.1181666060
O            -1.4664768800        1.3935186830       -0.1068978736
O            -1.0591689080       -1.1148178140       -1.2906691550
O            -1.1499024130       -0.8781898421        1.6586107260
H             0.7346158647       -0.5949163413        1.9514663080
H             1.8455493180       -0.7022927103        0.8819482245
H             1.5798265280        1.1363173920       -0.6867077834
H             1.4614841220        1.3192034500        0.8253127757
H             2.2327718110       -1.4810737480       -1.6710218050
H             0.7862597627       -1.0734682340       -1.2599655660
H            -1.9860061590        2.2006647170       -0.0436194960
H            -0.5089707029        1.6696403220       -0.0818946707
H            -1.3218450390       -0.2117775179       -0.9820006086
H            -1.7281548500       -1.3898088140       -1.9247259810
H            -1.4013412820        0.0093740180        1.3419667800
H            -1.1756688470       -1.4196344220        0.8544895919
    18
 Energy=    -44.9958322602340
O             1.6625480090       -0.3420932643        1.7675522890
O             1.2478807620        1.7702496070       -0.0234419200
O             1.7403717010       -0.8702367751       -1.1162927820
O            -1.4657488680        1.3955598770       -0.1069204092
O            -1.0575226700       -1.1123941450       -1.2891973990
O            -1.1492803090       -0.8806316672        1.6578044900
H             0.7335095843       -0.5946830822        1.9499494000
H             1.8448422260       -0.7025842123        0.8810818305
H             1.5748462630        1.1346383400       -0.6874242048
H             1.4597911910        1.3168678320        0.8257851765
H             2.2358100520       -1.4760679000       -1.6731817800
H             0.7872638519       -1.0756309350       -1.2600094330
H            -1.9852935160        2.2034082460       -0.0528144431
H            -0.5081024413        1.6718304660       -0.0803452658
H            -1.3205438740       -0.2095622571       -0.9802469796
H            -1.7309187060       -1.3907491900       -1.9171039210
H            -1.3991524090        0.0082410022        1.3437969120
H            -1.1742936490       -1.4196581290        0.8518692074
    18
 Energy=    -44.9984139091578
O             1.6614269690       -0.3451548190        1.7683116190
O             1.2464890790        1.7684623940       -0.0225023670
O             1.7412185760       -0.8702938462       -1.1166961410
O            -1.4660322430        1.3971177300       -0.1058506730
O            -1.0567986530       -1.1107219060       -1.2866570830
O            -1.1478600570       -0.8811497337        1.6569392380
H             0.7315639548       -0.5958709129        1.9470332270
H             1.8454246430       -0.7032766202        0.8810985685
H             1.5708901000        1.1335952520       -0.6877522557
H             1.4573529600        1.3147202410        0.8266589276
H             2.2383046870       -1.4719052140       -1.6760292770
H             0.7890198217       -1.0775540510       -1.2591923730
H            -1.9846996030        2.2062934360       -0.0619223002
H            -0.5078445978        1.6733973010       -0.0788823048
H            -1.3184323820       -0.2073798626       -0.9794265914
H            -1.7341110350       -1.3916364180       -1.9095360170
H            -1.3984779860        0.0075517881        1.3445594480
H            -1.1714270380       -1.4196909430        0.8507071219
    18
 Energy=    -45.0005664268861
O             1.6621959280       -0.3455609808        1.7690074790
O             1.2465305680        1.7675318700       -0.0219201115
O             1.7410594650       -0.8704646788       -1.1155325860
O            -1.4664028910        1.3978334770       -0.1053327661
O            -1.0567385290       -1.1098708300       -1.2861898390
O            -1.1483211900       -0.8826927755        1.6558054240
H             0.7325191860       -0.5964515037        1.9486387570
H             1.8450264600       -0.7029780902        0.8818509797
H             1.5691703580        1.1321185160       -0.6879786505
H             1.4568443100        1.3142034190        0.8272327873
H             2.2396625020       -1.4694512160       -1.6775595180
H             0.7888607333       -1.0783012370       -1.2600191240
H            -1.9845867020        2.2075488860       -0.0671469210
H            -0.5079131456        1.6739500260       -0.0784611194
H            -1.3179281780       -0.2063230162       -0.9790585984
H            -1.7368070460       -1.3917528540       -1.9056078040
H            -1.3974748290        0.0068106486        1.3447715010
H            -1.1696898030       -1.4196458450        0.8483608774
    18
 Energy=    -45.0020397080385
O             1.6625930470       -0.3447080170        1.7700939750
O             1.2477772890        1.7676352460       -0.0217126198
O             1.7404652260       -0.8705946191       -1.1152589210
O            -1.4667560280        1.3977245740       -0.1045042347
O            -1.0577412090       -1.1098410030       -1.2863832230
O            -1.1484444980       -0.8833294052        1.6547643950
H             0.7333637357       -0.5971194964        1.9501332420
H             1.8456982560       -0.7021919317        0.8833206752
H             1.5692829760        1.1313832160       -0.6876523903
H             1.4567810580        1.3146723930        0.8277768692
H             2.2394200400       -1.4688431180       -1.6781500260
H             0.7881382176       -1.0783193610       -1.2605211360
H            -1.9844898730        2.2077622210       -0.0693900094
H            -0.5080160607        1.6736892740       -0.0785252666
H            -1.3180590060       -0.2059863945       -0.9795569741
H            -1.7391780310       -1.3914995600       -1.9043785060
H            -1.3971173840        0.0061843275        1.3435410270
H            -1.1677105580       -1.4201145320        0.8472638930
    18
 Energy=    -45.0041466252491
O             1.6629485600       -0.3440822353        1.7716618710
O             1.2490928280        1.7674932770       -0.0213622250
O             1.7402278350       -0.8707497689       -1.1154917590
O            -1.4675534390        1.3978664230       -0.1028755239
O            -1.0587092350       -1.1095861600       -1.2859450640
O            -1.1489014940       -0.8837335015        1.6534397320
H             0.7345284473       -0.5993534808        1.9520970700
H             1.8470564600       -0.7016188553        0.8852817005
H             1.5696392110        1.1301081890       -0.6867892999
H             1.4564456250        1.3147223150        0.8285639793
H             2.2397130050       -1.4671722010       -1.6801474670
H             0.7878887070       -1.0785581760       -1.2616401080
H            -1.9848876100        2.2085736110       -0.0744043879
H            -0.5086114125        1.6735763890       -0.0785818383
H            -1.3177544230       -0.2052165123       -0.9795788533
H            -1.7427935690       -1.3916870960       -1.9009319250
H            -1.3978312430        0.0057273442        1.3421293410
H            -1.1644910580       -1.4198057470        0.8454355242
    18
 Energy=    -45.0067479565970
O             1.6629692800       -0.3439809113        1.7738364510
O             1.2493348060        1.7665079560       -0.0207203473
O             1.7404046810       -0.8706482707       -1.1167638510
O            -1.4683210900        1.3989541100       -0.1012870600
O            -1.0595137040       -1.1090791230       -1.2851742760
O            -1.1488187770       -0.8839237572        1.6519783250
H             0.7351116064       -0.6021403487        1.9538634370
H             1.8492442550       -0.7016089885        0.8880211783
H             1.5703601200        1.1285367220       -0.6852905199
H             1.4558192480        1.3142398930        0.8296724343
H             2.2402007000       -1.4646077720       -1.6835956960
H             0.7882315062       -1.0789332610       -1.2633951140
H            -1.9855402980        2.2098017760       -0.0822185142
H            -0.5093426362        1.6736754980       -0.0778427756
H            -1.3171733560       -0.2041807847       -0.9787559222
H            -1.7476683800       -1.3925340950       -1.8950647930
H            -1.3992375870        0.0052366861        1.3405349980
H            -1.1600531790       -1.4188115150        0.8430628155
    18
 Energy=    -45.0088582654658
O             1.6635267740       -0.3451663062        1.7767163050
O             1.2486996510        1.7651995730       -0.0199802454
O             1.7410988790       -0.8706217777       -1.1180800890
O            -1.4693679040        1.3999331730       -0.1002439984
O            -1.0593975600       -1.1072494040       -1.2845220100
O            -1.1482350580       -0.8843110182        1.6498799530
H             0.7362951358       -0.6055310524        1.9562418620
H             1.8513713620       -0.7025814713        0.8908159195
H             1.5709709370        1.1257325380       -0.6831031910
H             1.4547133900        1.3128371630        0.8310462574
H             2.2414679060       -1.4599047790       -1.6889326440
H             0.7894375027       -1.0796578760       -1.2661554390
H            -1.9864307450        2.2119045380       -0.0942206518
H            -0.5104321511        1.6749770500       -0.0762693278
H            -1.3165381160       -0.2028365741       -0.9762740939
H            -1.7538449410       -1.3945787440       -1.8853843260
H            -1.4021148580        0.0049278423        1.3402704140
H            -1.1552130090       -1.4165690590        0.8390560732
    18
 Energy=    -45.0116706271440
O             1.6634552800       -0.3485657997        1.7767441690
O             1.2459250450        1.7624374130       -0.0189173514
O             1.7434760620       -0.8700135472       -1.1197868110
O            -1.4705757670        1.4021498450       -0.1030130688
O            -1.0573049740       -1.1060504240       -1.2839510160
O            -1.1469464720       -0.8833441629        1.6497857090
H             0.7348417432       -0.6063093938        1.9536817570
H             1.8530415970       -0.7066391328        0.8914067898
H             1.5716239190        1.1242259750       -0.6811212084
H             1.4537148730        1.3112661150        0.8321224183
H             2.2430678550       -1.4557913890       -1.6941747080
H             0.7920371983       -1.0791560010       -1.2667299300
H            -1.9871118280        2.2135088720       -0.1027751404
H            -0.5120896074        1.6759246420       -0.0731064239
H            -1.3150175050       -0.2022726234       -0.9734197250
H            -1.7566579070       -1.3975225010       -1.8766165020
H            -1.4054057780        0.0055990418        1.3437584410
H            -1.1540665380       -1.4129431170        0.8369733679
    18
 Energy=    -45.0131090638983
O             1.6645299210       -0.3500363197        1.7775426160
O             1.2459023790        1.7612387800       -0.0177767030
O             1.7440986510       -0.8700437239       -1.1192256620
O            -1.4714824840        1.4025603310       -0.1050292233
O            -1.0567921360       -1.1051642490       -1.2847777920
O            -1.1459357110       -0.8836276141        1.6487073730
H             0.7350676375       -0.6058613305        1.9526908340
H             1.8549468410       -0.7089567084        0.8928605201
H             1.5722190900        1.1225019040       -0.6791989119
H             1.4536237990        1.3114164660        0.8337499663
H             2.2430717220       -1.4526106420       -1.6977831330
H             0.7924646829       -1.0778131850       -1.2668149580
H            -1.9874507770        2.2143574750       -0.1091559442
H            -0.5128885434        1.6758318370       -0.0716607828
H            -1.3147587030       -0.2018781402       -0.9729059111
H            -1.7608405060       -1.3996730630       -1.8706345850
H            -1.4072233260        0.0053284020        1.3458317250
H            -1.1525453390       -1.4110664040        0.8344413409
    18
 Energy=    -45.0142411708368
O             1.6656794090       -0.3499466754        1.7790161550
O             1.2468577230        1.7609364500       -0.0164808491
O             1.7439616720       -0.8699093187       -1.1196071690
O            -1.4719965440        1.4018738120       -0.1066041253
O            -1.0576394320       -1.1054369750       -1.2862123020
O            -1.1446403420       -0.8836107069        1.6476148420
H             0.7354114277       -0.6036121859        1.9529327810
H             1.8567993620       -0.7104883243        0.8953420603
H             1.5738997180        1.1218289610       -0.6773756440
H             1.4542332530        1.3122936050        0.8356281600
H             2.2411753570       -1.4520792230       -1.7000425240
H             0.7917126193       -1.0753352810       -1.2673082980
H            -1.9874140540        2.2140740780       -0.1113508395
H            -0.5131035634        1.6747258910       -0.0714473128
H            -1.3156142660       -0.2024197067       -0.9739220145
H            -1.7639881600       -1.4011605120       -1.8684294740
H            -1.4081900490        0.0050829431        1.3461618570
H            -1.1511369330       -1.4103130160        0.8329454642
    18
 Energy=    -45.0156833279840
O             1.6675909220       -0.3490277154        1.7812023220
O             1.2483528460        1.7613024850       -0.0142141744
O             1.7427306710       -0.8700733286       -1.1189645000
O            -1.4718374330        1.4002604520       -0.1071953823
O            -1.0598201840       -1.1061543710       -1.2878897690
O            -1.1436190500       -0.8837798892        1.6462828350
H             0.7364413419       -0.6007094011        1.9530887610
H             1.8599590280       -0.7112339304        0.8985758833
H             1.5755204390        1.1215861570       -0.6744508687
H             1.4562494940        1.3137230870        0.8383435102
H             2.2376563890       -1.4517680300       -1.7021527560
H             0.7896627448       -1.0718414080       -1.2673404110
H            -1.9869215880        2.2128896950       -0.1125090018
H            -0.5126110100        1.6726328150       -0.0738833764
H            -1.3173468130       -0.2024632760       -0.9773582976
H            -1.7679077430       -1.4035558530       -1.8674205720
H            -1.4089052820        0.0046179135        1.3455001430
H            -1.1491875780       -1.4099015880        0.8312464219
    18
 Energy=    -45.0180765865568
O             1.6705854310       -0.3549445610        1.7827789760
O             1.2454485100        1.7584811150       -0.0067621149
O             1.7427247960       -0.8679819041       -1.1205145700
O            -1.4722054360        1.4019183470       -0.1131101730
O            -1.0584472230       -1.1051176500       -1.2846794430
O            -1.1438379850       -0.8812896178        1.6457179800
H             0.7382315991       -0.6035791548        1.9525526780
H             1.8634772170       -0.7152977104        0.8993208596
H             1.5709925180        1.1204414130       -0.6693276344
H             1.4564299130        1.3082474200        0.8438570365
H             2.2368909710       -1.4409610960       -1.7124246360
H             0.7900526925       -1.0721339240       -1.2665087810
H            -1.9851765670        2.2154286280       -0.1238689174
H            -0.5127180236        1.6718839930       -0.0767970141
H            -1.3191237840       -0.1994182819       -0.9816335862
H            -1.7693848500       -1.4150988980       -1.8538325840
H            -1.4109726180        0.0079173059        1.3491461560
H            -1.1469599650       -1.4019916080        0.8269465346
    18
 Energy=    -45.0206538603096
O             1.6743458120       -0.3582821532        1.7870007680
O             1.2467472160        1.7587890540        0.0006367480
O             1.7368957220       -0.8648373200       -1.1199148130
O            -1.4710776590        1.4029045420       -0.1231955035
O            -1.0622155840       -1.1120684240       -1.2867606520
O            -1.1396257150       -0.8746067795        1.6438427570
H             0.7419471123       -0.6069170086        1.9568097210
H             1.8657939190       -0.7157555079        0.9022963981
H             1.5720576550        1.1209713150       -0.6623826998
H             1.4558305110        1.3078979990        0.8512240994
H             2.2296695370       -1.4320733240       -1.7188948780
H             0.7838263652       -1.0692503660       -1.2644245730
H            -1.9815044760        2.2184596180       -0.1223086650
H            -0.5109268412        1.6700616360       -0.0790775679
H            -1.3259645070       -0.2054393481       -0.9898851716
H            -1.7714929930       -1.4281473230       -1.8550475030
H            -1.4051144140        0.0137716900        1.3434847890
H            -1.1431844640       -1.3989744850        0.8274575132
    18
 Energy=    -45.0220092398036
O             1.6772887110       -0.3651441466        1.7879597270
O             1.2480401660        1.7573785190        0.0071384036
O             1.7342741270       -0.8602826039       -1.1205588360
O            -1.4689970960        1.4018405540       -0.1292426063
O            -1.0653579530       -1.1172916980       -1.2842039800
O            -1.1391289750       -0.8680441205        1.6458073560
H             0.7434508943       -0.6085175810        1.9573711560
H             1.8658989570       -0.7202980665        0.9016962037
H             1.5709939940        1.1170942590       -0.6549148824
H             1.4572763260        1.3074427550        0.8580818293
H             2.2305227710       -1.4143255820       -1.7287913200
H             0.7826063845       -1.0704413690       -1.2656138660
H            -1.9810087420        2.2162354780       -0.1345273618
H            -0.5094606187        1.6706718620       -0.0824092222
H            -1.3263731400       -0.2094466015       -0.9884938895
H            -1.7758073520       -1.4319829090       -1.8515396890
H            -1.4017922690        0.0193963960        1.3401185200
H            -1.1464189890       -1.3977813310        0.8329832260
