    18
Energy=    -45.9398026651001    
O         -1.947050545       -0.8002016443       -0.5179831474    
H         -2.779915359        -1.105347287       -0.8747836247    
H         -2.162537503       -0.1945239066        0.2298392318    
O         0.2390515813         2.334092315        0.9246403810    
H         0.4064716045         1.825735772        0.1083680310    
H         0.6665931223         3.181094361        0.8040662767    
O         0.5002769794        0.5835450380        -1.171220278    
H         0.9536675369       -0.1816993432       -0.7997534744    
H        -0.4003888727        0.2519696062        -1.282473498    
O         0.2328729079       -0.1096246511E-01     2.687484093    
H         0.4632765358       -0.6991837759         2.050857257    
H         0.5563178516        0.8047391765         2.286964687    
O         0.4383753164        -1.855673092        0.4295818152    
H         0.6146408167        -2.795113131        0.4762590301    
H        -0.4756986743        -1.763084420        0.1143097303    
O         -2.180086290        0.8514992099         1.556282832    
H         -1.729876301         1.665303940         1.300451151    
H         -1.525642709        0.4508226468         2.155199506    
    18
Energy=    -45.9391911555476    
O         -1.949507734       -0.8060631481       -0.5178724297    
H         -2.782674992        -1.114055159       -0.8715736227    
H         -2.164293940       -0.1979512440        0.2280334525    
O         0.2455990494         2.333813622        0.9278334051    
H         0.4084233965         1.825933872        0.1103192784    
H         0.6787025380         3.178215947        0.8088416377    
O         0.4963898645        0.5848253828        -1.171307548    
H         0.9461959153       -0.1814973432       -0.7975549749    
H        -0.4045690890        0.2554020018        -1.285602145    
O         0.2298892330       -0.9310276718E-02     2.688775193    
H         0.4612971728       -0.6981538832         2.053229162    
H         0.5556590310        0.8057189919         2.288668962    
O         0.4395573935        -1.852404623        0.4298667754    
H         0.6210668672        -2.791074599        0.4716965866    
H        -0.4750124041        -1.763085126        0.1150780879    
O         -2.179865992        0.8524024454         1.551934779    
H         -1.731546662         1.667223961         1.296385670    
H         -1.524961648        0.4530721798         2.151337731    
    18
Energy=    -45.9381450131881    
O         -1.949419531       -0.8067027119       -0.5175292671    
H         -2.782713614        -1.120245839       -0.8660031385    
H         -2.163691244       -0.1974019237        0.2277471025    
O         0.2464484282         2.332804994        0.9272367996    
H         0.4120669925         1.826012518        0.1096846486    
H         0.6814418298         3.176680733        0.8113166720    
O         0.4943078891        0.5865476710        -1.174033843    
H         0.9471943109       -0.1790376089       -0.8024469023    
H        -0.4066056623        0.2555182539        -1.284911157    
O         0.2267798708       -0.9907765908E-02     2.691265295    
H         0.4596841525       -0.6985982088         2.055962231    
H         0.5515957368        0.8052916842         2.290981026    
O         0.4395316589        -1.850689400        0.4301595015    
H         0.6211513406        -2.789422289        0.4693808312    
H        -0.4749949448        -1.760652235        0.1150363630    
O         -2.178464444        0.8528065838         1.549578514    
H         -1.728517529         1.666618850         1.293625944    
H         -1.525447240        0.4533896930         2.151039379    
    18
Energy=    -45.9353602648156    
O         -1.947970744       -0.8074840064       -0.5141951318    
H         -2.781821551        -1.126611329       -0.8564593732    
H         -2.161528569       -0.1969774888        0.2302423444    
O         0.2485282234         2.328406591        0.9275286817    
H         0.4087407127         1.824559273        0.1068948326    
H         0.6826508430         3.172681497        0.8116062309    
O         0.4950108454        0.5892796993        -1.177828395    
H         0.9490532521       -0.1771020461       -0.8095814552    
H        -0.4055547821        0.2582614431        -1.289690317    
O         0.2212293699       -0.1121969837E-01     2.695280194    
H         0.4567134892       -0.7011071701         2.062463718    
H         0.5498919024        0.8027488749         2.294974952    
O         0.4424338133        -1.848222970        0.4268300737    
H         0.6198419759        -2.787807940        0.4670884452    
H        -0.4726698209        -1.755209966        0.1140596792    
O         -2.180040719        0.8571779751         1.547286584    
H         -1.723862441         1.667910138         1.292065120    
H         -1.530297800        0.4537301233         2.149523817    
    18
Energy=    -45.9326908389320    
O         -1.946817429       -0.8059819396       -0.5126941952    
H         -2.779064355        -1.133220133       -0.8505975144    
H         -2.162148695       -0.1958334046        0.2318069697    
O         0.2491359535         2.325371372        0.9287182306    
H         0.4080163935         1.821922566        0.1076741350    
H         0.6818987483         3.170304388        0.8118732540    
O         0.4947006649        0.5906562739        -1.182044061    
H         0.9489476623       -0.1758649786       -0.8141098542    
H        -0.4046299918        0.2578894288        -1.298883119    
O         0.2195589448       -0.1470981880E-01     2.697245459    
H         0.4547143330       -0.7038890796         2.063345566    
H         0.5499276760        0.7988921337         2.298606506    
O         0.4449090821        -1.846204306        0.4265891627    
H         0.6196311460        -2.786343984        0.4674033411    
H        -0.4695644249        -1.750472767        0.1129801025    
O         -2.181493683        0.8619326513         1.546623087    
H         -1.721929923         1.670778209         1.291513811    
H         -1.535444104        0.4577863889         2.152039117    
    18
Energy=    -45.9307376736841    
O         -1.945959917       -0.8058917060       -0.5119213312    
H         -2.777717801        -1.137019064       -0.8473061131    
H         -2.162126813       -0.1946405457        0.2313720064    
O         0.2489590266         2.324228704        0.9294214716    
H         0.4084551201         1.820289621        0.1089672975    
H         0.6813623462         3.169247667        0.8118974107    
O         0.4946998290        0.5910232953        -1.185640059    
H         0.9486249548       -0.1748449139       -0.8158144593    
H        -0.4043671354        0.2579010537        -1.303772370    
O         0.2185006153       -0.1723361189E-01     2.697905989    
H         0.4532576246       -0.7054005116         2.062629328    
H         0.5500567521        0.7967542765         2.300737226    
O         0.4462014794        -1.845088358        0.4269522706    
H         0.6193522375        -2.785303211        0.4680172032    
H        -0.4679813100        -1.748040713        0.1122362145    
O         -2.182209217        0.8643872221         1.547185590    
H         -1.721152880         1.672095548         1.290999435    
H         -1.537606913        0.4605482467         2.154222889    
    18
Energy=    -45.9296661554597    
O         -1.945642716       -0.8062769525       -0.5117290637    
H         -2.777236174        -1.138717972       -0.8460300615    
H         -2.161853834       -0.1939376010        0.2306114752    
O         0.2487570294         2.323965327        0.9298024747    
H         0.4088943759         1.819786113        0.1097329764    
H         0.6810782613         3.168962169        0.8119236816    
O         0.4947912867        0.5912109024        -1.187393354    
H         0.9482867419       -0.1743304132       -0.8163106435    
H        -0.4042521008        0.2579935123        -1.305481913    
O         0.2182821340       -0.1836158067E-01     2.697922261    
H         0.4525637701       -0.7060101947         2.061872407    
H         0.5501109516        0.7957962395         2.301608015    
O         0.4466973657        -1.844618014        0.4269110546    
H         0.6189315467        -2.785012250        0.4686997756    
H        -0.4674705007        -1.747019438        0.1123042579    
O         -2.182448616        0.8653373974         1.547723401    
H         -1.721007215         1.672557038         1.290661386    
H         -1.538134308        0.4616887165         2.155261870    
    18
Energy=    -45.9280298006445    
O         -1.945130318       -0.8066100768       -0.5110786297    
H         -2.777165337        -1.139214665       -0.8445250868    
H         -2.160986523       -0.1922778287        0.2292838826    
O         0.2485567188         2.322660267        0.9294050863    
H         0.4096958894         1.818263232        0.1096997754    
H         0.6806758010         3.167645491        0.8111284738    
O         0.4953397288        0.5905767398        -1.190232144    
H         0.9474400304       -0.1745487402       -0.8167334012    
H        -0.4041765826        0.2584611779        -1.307222005    
O         0.2166333332       -0.1986594885E-01     2.698251001    
H         0.4514969163       -0.7072164561         2.062258668    
H         0.5491647760        0.7945322076         2.302754068    
O         0.4483908951        -1.843279687        0.4267065052    
H         0.6206539255        -2.783748232        0.4672968864    
H        -0.4662608869        -1.745450829        0.1136831231    
O         -2.183649159        0.8670729725         1.549645449    
H         -1.720803881         1.672883423         1.290498570    
H         -1.539527328        0.4631299527         2.157269778    
    18
Energy=    -45.9217164861621    
O         -1.943685581       -0.8032718468       -0.5074750286    
H         -2.777064746        -1.135050138       -0.8394079541    
H         -2.158105762       -0.1869731335        0.2312284365    
O         0.2494497304         2.314891995        0.9242739994    
H         0.4128487143         1.811926590        0.1030037610    
H         0.6790007470         3.161302369        0.8060792693    
O         0.4987269966        0.5870085202        -1.196223849    
H         0.9435560343       -0.1804186406       -0.8189904757    
H        -0.4030645430        0.2618578399        -1.312361219    
O         0.2077113762       -0.2464623357E-01     2.701055498    
H         0.4453645919       -0.7115787606         2.065880180    
H         0.5428431286        0.7895936947         2.306891395    
O         0.4551407509        -1.835800044        0.4255469277    
H         0.6350591897        -2.775274652        0.4578813469    
H        -0.4621377698        -1.742317825        0.1200773914    
O         -2.188136418        0.8721127000         1.554444274    
H         -1.720807353         1.674887008         1.293811664    
H         -1.546351088        0.4647635570         2.162374383    
    18
Energy=    -45.9165424784947    
O         -1.942603395       -0.8001986694       -0.5057581291    
H         -2.775863129        -1.133993530       -0.8360536527    
H         -2.157125921       -0.1843628086        0.2332495646    
O         0.2501138058         2.310714877        0.9206831286    
H         0.4147999437         1.809488324        0.9900198684E-01
H         0.6775623742         3.158229846        0.8042847641    
O         0.5008402155        0.5851345294        -1.199000327    
H         0.9414377329       -0.1843796144       -0.8208791327    
H        -0.4024159840        0.2641735599        -1.314823981    
O         0.2043133618       -0.2797713645E-01     2.702978286    
H         0.4412313101       -0.7133788051         2.065798964    
H         0.5400915332        0.7864057663         2.309834786    
O         0.4573751545        -1.831505269        0.4254716882    
H         0.6433044661        -2.769903925        0.4540388345    
H        -0.4614446584        -1.741894056        0.1232700240    
O         -2.189835005        0.8743370477         1.555362409    
H         -1.721501215         1.677270247         1.296969242    
H         -1.549932589        0.4648526162         2.163661546    
    18
Energy=    -45.9131316092998    
O         -1.941753139       -0.7985243036       -0.5048775040    
H         -2.774747898        -1.133882039       -0.8337533450    
H         -2.157084105       -0.1832829232        0.2347565678    
O         0.2504886392         2.309072105        0.9188051756    
H         0.4159022216         1.808349283        0.9701764456E-01
H         0.6767763329         3.157362476        0.8037972472    
O         0.5020735879        0.5842802809        -1.200419309    
H         0.9405309130       -0.1864579416       -0.8218363897    
H        -0.4021793824        0.2656998151        -1.316190993    
O         0.2032246102       -0.3000523000E-01     2.703858719    
H         0.4384525034       -0.7141810121         2.064557394    
H         0.5389761375        0.7847532920         2.311675712    
O         0.4576727453        -1.829307168        0.4257304514    
H         0.6472546092        -2.766933458        0.4532209654    
H        -0.4616812466        -1.742281498        0.1240379819    
O         -2.190487027        0.8749139309         1.555031535    
H         -1.721880520         1.678459184         1.299229199    
H         -1.551190983        0.4649782078         2.163448948    
    18
Energy=    -45.9107514745688    
O         -1.941140262       -0.7978073902       -0.5048589135    
H         -2.773649216        -1.134680567       -0.8327260189    
H         -2.157386571       -0.1828891580        0.2352551369    
O         0.2504787784         2.308673728        0.9180471300    
H         0.4163274470         1.808232920        0.9646135152E-01
H         0.6763423191         3.157340031        0.8042826366    
O         0.5025316836        0.5840066760        -1.201201372    
H         0.9404257513       -0.1871677294       -0.8223361332    
H        -0.4023139979        0.2661811569        -1.316468913    
O         0.2040812442       -0.3104164144E-01     2.704595795    
H         0.4370642693       -0.7140947053         2.063092083    
H         0.5390351450        0.7841108146         2.312757835    
O         0.4569431314        -1.828687065        0.4260690440    
H         0.6484979100        -2.765774563        0.4534102142    
H        -0.4625974837        -1.742995741        0.1239915908    
O         -2.190525054        0.8749962226         1.554246579    
H         -1.722230219         1.679311166         1.300554808    
H         -1.551536875        0.4652988441         2.162917146    
    18
Energy=    -45.9096753572814    
O         -1.940843714       -0.7979441092       -0.5053330211    
H         -2.773097707        -1.136043411       -0.8323301326    
H         -2.157406390       -0.1831671767        0.2350614248    
O         0.2504404721         2.309214208        0.9182460652    
H         0.4164491679         1.808937979        0.9681646423E-01
H         0.6761373468         3.158051621        0.8050200892    
O         0.5025692964        0.5843608269        -1.201175948    
H         0.9406111549       -0.1869035945       -0.8224194788    
H        -0.4024308993        0.2663752849        -1.316346862    
O         0.2054507230       -0.3154575073E-01     2.704676105    
H         0.4363665220       -0.7137167717         2.061097027    
H         0.5397248798        0.7840738126         2.313214591    
O         0.4558385734        -1.828894459        0.4261839038    
H         0.6475862620        -2.765948613        0.4550804914    
H        -0.4636789084        -1.743568618        0.1235025388    
O         -2.189982599        0.8745790603         1.553556073    
H         -1.722560802         1.679709867         1.300874255    
H         -1.550825380        0.4654428438         2.162366414    
    18
Energy=    -45.9074147387512    
O         -1.941363303       -0.7978846465       -0.5066844480    
H         -2.773737077        -1.138264770       -0.8311167037    
H         -2.157243069       -0.1839864768        0.2337829426    
O         0.2508014444         2.310423888        0.9193370488    
H         0.4171566406         1.810303502        0.9707075738E-01
H         0.6754681325         3.160023611        0.8060546107    
O         0.5027145812        0.5849316634        -1.200094042    
H         0.9400442174       -0.1871805578       -0.8229394548    
H        -0.4020929569        0.2685366277        -1.316764537    
O         0.2033571682       -0.3320089678E-01     2.700467054    
H         0.4385822630       -0.7142104080         2.058969130    
H         0.5413123215        0.7825756008         2.312720154    
O         0.4564756303        -1.828267680        0.4263991095    
H         0.6441475927        -2.766490167        0.4599976924    
H        -0.4639340548        -1.742355069        0.1260009805    
O         -2.189868282        0.8738504735         1.552838367    
H         -1.722688764         1.679702450         1.301434149    
H         -1.548784485        0.4645058554         2.160617190    
    18
Energy=    -45.9004255213134    
O         -1.941516723       -0.7981840227       -0.5009781584    
H         -2.774504787        -1.134648003       -0.8265796616    
H         -2.155815265       -0.1816948748        0.2380293903    
O         0.2523396109         2.309169964        0.9166833174    
H         0.4189123796         1.808732407        0.9513505909E-01
H         0.6753597704         3.159014894        0.8016372878    
O         0.5057469430        0.5845417845        -1.200423422    
H         0.9378608736       -0.1905866623       -0.8230706782    
H        -0.4002148262        0.2729844686        -1.321069996    
O         0.1939895000       -0.3443407151E-01     2.697380156    
H         0.4336980199       -0.7172857583         2.057761530    
H         0.5386180696        0.7800680966         2.314587193    
O         0.4563328705        -1.824856909        0.4285612004    
H         0.6505915391        -2.759975258        0.4622315674    
H        -0.4612856189        -1.742423888        0.1196521669    
O         -2.191060950        0.8739022013         1.556841766    
H         -1.721557624         1.677268693         1.301850119    
H         -1.547145782        0.4614199385         2.159861163    
    18
Energy=    -45.8942145777124    
O         -1.942131674       -0.7978150563       -0.4981767170    
H         -2.775602359        -1.131812059       -0.8247467210    
H         -2.155123595       -0.1811810106        0.2403567754    
O         0.2530148817         2.308620589        0.9157831714    
H         0.4198633198         1.807342408        0.9441581882E-01
H         0.6756144575         3.158474372        0.7988123314    
O         0.5070817588        0.5839690737        -1.200987303    
H         0.9365324008       -0.1917458374       -0.8226144553    
H        -0.3992162931        0.2749010874        -1.323145539    
O         0.1891350329       -0.3490602239E-01     2.696207512    
H         0.4317385282       -0.7188482530         2.058608793    
H         0.5364998336        0.7791312209         2.314619720    
O         0.4578125852        -1.823028687        0.4286986429    
H         0.6536458956        -2.758080516        0.4624543255    
H        -0.4590909446        -1.741448735        0.1179028705    
O         -2.191640433        0.8738940589         1.558454998    
H         -1.720949553         1.675864560         1.301620922    
H         -1.546835841        0.4596818077         2.159824853    
    18
Energy=    -45.8832578837258    
O         -1.942918641       -0.7930376126       -0.4902489247    
H         -2.777052895        -1.117082793       -0.8266753608    
H         -2.158703045       -0.1748569654        0.2477209026    
O         0.2520670078         2.301672912        0.9102950851    
H         0.4199345200         1.797641392        0.9105653442E-01
H         0.6777476414         3.149748645        0.7909966992    
O         0.5089066541        0.5778838119        -1.208180869    
H         0.9345705944       -0.1962919513       -0.8218474002    
H        -0.3994693664        0.2719460136        -1.324843089    
O         0.1812296552       -0.3158412539E-01     2.704084832    
H         0.4327128661       -0.7219576451         2.077688594    
H         0.5269750621        0.7792129416         2.312748811    
O         0.4670477249        -1.819410233        0.4292702338    
H         0.6714668209        -2.753510002        0.4405968646    
H        -0.4499347702        -1.738684522        0.1187523859    
O         -2.197702404        0.8789349732         1.562177971    
H         -1.718466349         1.674467282         1.301931865    
H         -1.558063077        0.4579208792         2.162564865    
    18
Energy=    -45.8725936003333    
O         -1.942620564       -0.7887778456       -0.4867232381    
H         -2.775409400        -1.109087022       -0.8306657466    
H         -2.162800483       -0.1701145083        0.2498389363    
O         0.2496693538         2.296234284        0.9067211052    
H         0.4184578946         1.791060577        0.8835725856E-01
H         0.6790872220         3.142564207        0.7891144038    
O         0.5086242089        0.5726637930        -1.214283562    
H         0.9349721230       -0.1989965155       -0.8224704445    
H        -0.4009807281        0.2666734628        -1.322714401    
O         0.1812386984       -0.2788111083E-01     2.712447486    
H         0.4365150207       -0.7222438585         2.092716704    
H         0.5230363122        0.7805296506         2.312188640    
O         0.4710129477        -1.817988637        0.4303257172    
H         0.6841273141        -2.751516357        0.4214431979    
H        -0.4464390156        -1.739053657        0.1201399236    
O         -2.203691111        0.8839620718         1.563063927    
H         -1.716625803         1.675976637         1.303320779    
H         -1.567825991        0.4590078264         2.165269314    
    18
Energy=    -45.8679227785640    
O         -1.942201914       -0.7885195783       -0.4860200913    
H         -2.774141670        -1.109891829       -0.8309876717    
H         -2.163771219       -0.1688226457        0.2488699246    
O         0.2491036497         2.296009115        0.9065062992    
H         0.4181291123         1.791138016        0.8803503734E-01
H         0.6790063780         3.142189501        0.7901290453    
O         0.5084598536        0.5722652825        -1.214838430    
H         0.9354167738       -0.1995350013       -0.8232762463    
H        -0.4012495775        0.2660538900        -1.322004912    
O         0.1828118480       -0.2774767541E-01     2.713590453    
H         0.4372400403       -0.7218478306         2.092841421    
H         0.5238763887        0.7805833860         2.312856997    
O         0.4692931851        -1.817861089        0.4313468392    
H         0.6856327300        -2.751455092        0.4207035916    
H        -0.4476208211        -1.739902132        0.1189080489    
O         -2.204959975        0.8847461001         1.562959255    
H         -1.716516009         1.676768695         1.303720320    
H         -1.568160774        0.4588418898         2.164750118    
    18
Energy=    -45.8347698449107    
O         -1.943842898       -0.7832695807       -0.4845707523    
H         -2.779298947        -1.092795343       -0.8321628749    
H         -2.159555090       -0.1760399941        0.2626949194    
O         0.2490975108         2.290565825        0.9022665122    
H         0.4187519675         1.780626837        0.8743479367E-01
H         0.6823338342         3.135023418        0.7788490787    
O         0.5105021921        0.5675923691        -1.222980397    
H         0.9333182969       -0.1974213913       -0.8155507489    
H        -0.4010067753        0.2627869549        -1.324092752    
O         0.1755403076       -0.2153584358E-01     2.720536562    
H         0.4264413413       -0.7254260647         2.107126736    
H         0.5114445396        0.7846343940         2.311288926    
O         0.4825163964        -1.815163682        0.4234473340    
H         0.6957508650        -2.748254664        0.4014314818    
H        -0.4376890097        -1.739594294        0.1203421682    
O         -2.203915217        0.8842395078         1.562792523    
H         -1.713735762         1.674260603         1.303314076    
H         -1.576305553        0.4627839491         2.175922414    
    18
Energy=    -45.7998009116166    
O         -1.944312722       -0.7849609692       -0.4818805632    
H         -2.782520515        -1.085935629       -0.8284057962    
H         -2.153512853       -0.1823207566        0.2716249366    
O         0.2520245903         2.292189480        0.9015497942    
H         0.4207085074         1.777763510        0.8796053037E-01
H         0.6835664038         3.134766951        0.7709576400    
O         0.5111854061        0.5693231166        -1.223250973    
H         0.9321103903       -0.1945764990       -0.8096348220    
H        -0.3980828920        0.2651220889        -1.329032111    
O         0.1716050086       -0.2218655007E-01     2.722942258    
H         0.4108623054       -0.7233523246         2.103049245    
H         0.5043533253        0.7845688542         2.311154793    
O         0.4847590452        -1.814559753        0.4185107208    
H         0.6971653771        -2.747556557        0.4026619587    
H        -0.4344142158        -1.739125010        0.1141679782    
O         -2.198187279        0.8783892251         1.563946935    
H         -1.713364102         1.671119722         1.300727148    
H         -1.573597781        0.4643441000         2.181040327    
    18
Energy=    -45.7786665839651    
O         -1.941994866       -0.7871219302       -0.4784200294    
H         -2.783083591        -1.078242774       -0.8282488139    
H         -2.148619571       -0.1850642530        0.2771812234    
O         0.2532223741         2.288469936        0.8983363910    
H         0.4197064068         1.773394365        0.8519605982E-01
H         0.6853982542         3.131019957        0.7651794778    
O         0.5118941383        0.5690426199        -1.222388982    
H         0.9325891813       -0.1924692747       -0.8067537927    
H        -0.3973379766        0.2626906388        -1.331287649    
O         0.1698058046       -0.2040348324E-01     2.730185147    
H         0.3980196572       -0.7178763526         2.105025313    
H         0.4990049217        0.7847949879         2.312718490    
O         0.4833581736        -1.814932305        0.4154705617    
H         0.7055904694        -2.744326119        0.3937635132    
H        -0.4336038126        -1.741492491        0.1053367820    
O         -2.197294537        0.8783374974         1.566073957    
H         -1.712588742         1.668351648         1.299475937    
H         -1.573718284        0.4688403331         2.191246416    
    18
Energy=    -45.7522822164734    
O         -1.940122811       -0.7894047918       -0.4758616360    
H         -2.782588345        -1.072253192       -0.8286068346    
H         -2.144196587       -0.1870793500        0.2793528436    
O         0.2542614864         2.284967781        0.8955203862    
H         0.4179301898         1.769704868        0.8150552317E-01
H         0.6865713583         3.126976228        0.7616203110    
O         0.5115216241        0.5695094497        -1.221087469    
H         0.9339773268       -0.1919448992       -0.8049412955    
H        -0.3967275364        0.2600725602        -1.332240344    
O         0.1677513461       -0.1846667748E-01     2.736298813    
H         0.3890128728       -0.7130321565         2.107290799    
H         0.4960849809        0.7853239149         2.314404761    
O         0.4808781467        -1.814711105        0.4129621852    
H         0.7137605015        -2.741801229        0.3859811544    
H        -0.4343363957        -1.744014801        0.9748686977E-01
O         -2.197061353        0.8785873545         1.570071401    
H         -1.711465763         1.666302837         1.298586803    
H         -1.574903042        0.4742762073         2.199745730    
    18
Energy=    -45.6762182219070    
O         -1.937729853       -0.7894551630       -0.4748613845    
H         -2.780287944        -1.048549996       -0.8442845890    
H         -2.140372976       -0.1821470004        0.2745402538    
O         0.2529934360         2.261854212        0.8840916794    
H         0.4064433830         1.753178323        0.6389880119E-01
H         0.6900745100         3.104211339        0.7573438724    
O         0.5055076007        0.5626516534        -1.217336691    
H         0.9395719980       -0.1966135838       -0.8080314353    
H        -0.3994881023        0.2414426384        -1.325863548    
O         0.1627686840       -0.1485230420E-02     2.756801036    
H         0.3938986996       -0.7109252130         2.147070227    
H         0.4876088194        0.7927218007         2.315472602    
O         0.4904399080        -1.812178542        0.4086473048    
H         0.7424554396        -2.732608647        0.3291918940    
H        -0.4287501458        -1.750721281        0.1006505924    
O         -2.210059350        0.8927006837         1.584519086    
H         -1.705765470         1.665063667         1.298652449    
H         -1.598960637        0.4938733397         2.227587850    
    18
Energy=    -45.6596083769900    
O         -1.937912232       -0.7898505111       -0.4751147329    
H         -2.781198591        -1.045714551       -0.8465294992    
H         -2.140154913       -0.1807542721        0.2734649375    
O         0.2537501132         2.259751873        0.8831380357    
H         0.4051459680         1.751467566        0.6158495794E-01
H         0.6901087532         3.101587285        0.7567754057    
O         0.5045866013        0.5620909549        -1.215278026    
H         0.9397847229       -0.1972319043       -0.8089201144    
H        -0.3995929733        0.2397394919        -1.325637521    
O         0.1621329588        0.4844603023E-03     2.758119641    
H         0.3958572971       -0.7132544283         2.152251963    
H         0.4858338867        0.7946615938         2.314893108    
O         0.4938306559        -1.810699639        0.4079362828    
H         0.7434975028        -2.732384905        0.3229872597    
H        -0.4264660229        -1.751117509        0.1037427355    
O         -2.211626851        0.8944646951         1.586283327    
H         -1.705471794         1.664361581         1.298106374    
H         -1.601757082        0.4954112178         2.230285866    
    18
Energy=    -45.6523337401566    
O         -1.938820363       -0.7887074652       -0.4742776614    
H         -2.780929057        -1.043501078       -0.8491644339    
H         -2.142969536       -0.1773455867        0.2718452864    
O         0.2536506850         2.258222062        0.8826164286    
H         0.4045376980         1.750006649        0.6047404145E-01
H         0.6900796366         3.099402516        0.7569709744    
O         0.5032569430        0.5608296240        -1.214770451    
H         0.9399293210       -0.1984347183       -0.8105008628    
H        -0.4002558974        0.2377219778        -1.325146766    
O         0.1640729269        0.1739612913E-02     2.760467976    
H         0.4008666962       -0.7144703080         2.158881267    
H         0.4835771668        0.7947134697         2.313175083    
O         0.4981715255        -1.811958188        0.4092579957    
H         0.7440768068        -2.731897421        0.3151367441    
H        -0.4235256289        -1.749678557        0.1093523345    
O         -2.213774408        0.8965233244         1.585832379    
H         -1.705799726         1.664690837         1.298124913    
H         -1.605796788        0.4951562492         2.229814751    
    18
Energy=    -45.6121007743282    
O         -1.939304711       -0.7916790769       -0.4725118627    
H         -2.783802287        -1.044451551       -0.8467253193    
H         -2.142759055       -0.1763179790        0.2722242925    
O         0.2575860454         2.263890204        0.8845694996    
H         0.4062845260         1.751671188        0.6120121204E-01
H         0.6888052480         3.101935770        0.7554801791    
O         0.5034840958        0.5640218472        -1.210017329    
H         0.9387670578       -0.1977415071       -0.8102365272    
H        -0.3989904398        0.2414025944        -1.329216206    
O         0.1650653860       -0.8101604697E-03     2.758992202    
H         0.3980237634       -0.7153870992         2.152352068    
H         0.4803714486        0.7923074967         2.311211139    
O         0.5008822697        -1.810891218        0.4087391954    
H         0.7374893640        -2.735233326        0.3235761907    
H        -0.4217338360        -1.746955358        0.1111488126    
O         -2.211236239        0.8941169927         1.584451186    
H         -1.707958047         1.661240825         1.296275443    
H         -1.600626589        0.4918933585         2.226575824    
    18
Energy=    -45.6012656231238    
O         -1.942063473       -0.7874903014       -0.4755236862    
H         -2.781865473        -1.039805585       -0.8514380750    
H         -2.142426744       -0.1777843404        0.2685108294    
O         0.2535600012         2.253349273        0.8815935655    
H         0.4031166468         1.748898915        0.5909541924E-01
H         0.6909331873         3.098555864        0.7562435541    
O         0.5020049111        0.5610280896        -1.213101307    
H         0.9402112286       -0.2001421607       -0.8110574064    
H        -0.4008950031        0.2360566573        -1.324438466    
O         0.1622573231        0.3990782109E-02     2.758444491    
H         0.4058056349       -0.7193973261         2.166778508    
H         0.4817484776        0.7978479708         2.312273125    
O         0.5023578453        -1.812067153        0.4069202509    
H         0.7469355697        -2.734227519        0.3086620587    
H        -0.4207591965        -1.744828557        0.1178594693    
O         -2.217003912        0.8975223858         1.587594726    
H         -1.704379748         1.665465172         1.297018830    
H         -1.609189275        0.4960408321         2.232654113    
    18
Energy=    -45.5111224124552    
O         -1.936605645       -0.7762508571       -0.4828694526    
H         -2.775889687        -1.033570771       -0.8663961839    
H         -2.148097981       -0.1745355546        0.2671641424    
O         0.2428221715         2.240411623        0.8761040117    
H         0.3961414129         1.738325536        0.5077031350E-01
H         0.6912959019         3.077401937        0.7630908964    
O         0.4992861348        0.5464908439        -1.229115235    
H         0.9442386415       -0.2038785783       -0.8148669905    
H        -0.4063100145        0.2195124634        -1.308574458    
O         0.1614956099        0.1649860579E-01     2.766224233    
H         0.4239779778       -0.7205557504         2.201424781    
H         0.4897603808        0.8082736149         2.317653843    
O         0.4987065550        -1.818176017        0.4103783262    
H         0.7740225417        -2.722593185        0.2649827725    
H        -0.4232901664        -1.750526256        0.1213205964    
O         -2.226216360        0.9154927608         1.590547868    
H         -1.700404794         1.673182040         1.305493851    
H         -1.634584679        0.5075105446         2.244756685    
    18
Energy=    -45.3952317612968    
O         -1.933102446       -0.7656623164       -0.4865002212    
H         -2.766737481        -1.030368850       -0.8762668708    
H         -2.153778868       -0.1726875485        0.2662252801    
O         0.2323963331         2.230912149        0.8715620670    
H         0.3913722651         1.730283522        0.4625792639E-01
H         0.6920795535         3.062331592        0.7695342122    
O         0.4989409020        0.5331149886        -1.244592771    
H         0.9471618150       -0.2052063982       -0.8180102396    
H        -0.4115685720        0.2062693352        -1.295480678    
O         0.1619212339        0.2647150776E-01     2.777664135    
H         0.4376890275       -0.7132877396         2.224212550    
H         0.4979345359        0.8089072566         2.321050264    
O         0.4942895795        -1.821797224        0.4159072790    
H         0.7939689258        -2.711775193        0.2321766393    
H        -0.4280212857        -1.760182914        0.1179711838    
O         -2.234138902        0.9272613235         1.591497635    
H         -1.696250990         1.681789795         1.313341490    
H         -1.653807626        0.5166397146         2.251540118    
    18
Energy=    -45.3458251361973    
O         -1.931515920       -0.7616530803       -0.4876284818    
H         -2.762393908        -1.029627875       -0.8800736479    
H         -2.156464080       -0.1712618751        0.2666881989    
O         0.2279191156         2.227171312        0.8696013707    
H         0.3896916513         1.727159732        0.4505860458E-01
H         0.6925966716         3.057081374        0.7722026205    
O         0.4968621453        0.5283427817        -1.251716372    
H         0.9489315123       -0.2066850535       -0.8185925994    
H        -0.4122737193        0.2016061798        -1.290373416    
O         0.1620402073        0.3049640270E-01     2.783662372    
H         0.4432629047       -0.7079728810         2.232068287    
H         0.5013549088        0.8064123982         2.321723595    
O         0.4931311683        -1.821099185        0.4190976951    
H         0.7990018380        -2.706733196        0.2193659388    
H        -0.4288216632        -1.767240639        0.1153695155    
O         -2.236950212        0.9327661735         1.590623341    
H         -1.695306685         1.684317750         1.317073846    
H         -1.660717936        0.5199326825         2.253939131    
    18
Energy=    -45.3123548088209    
O         -1.931453926       -0.7600602122       -0.4876493295    
H         -2.759536089        -1.029229251       -0.8816678550    
H         -2.158145410       -0.1698015693        0.2669387066    
O         0.2260536823         2.225877756        0.8687913471    
H         0.3890584453         1.725710769        0.4451155332E-01
H         0.6927333459         3.054675879        0.7734155370    
O         0.4966701524        0.5259951836        -1.254434508    
H         0.9494130107       -0.2070044508       -0.8193415398    
H        -0.4131249133        0.1992612367        -1.288367230    
O         0.1629221202        0.3202825857E-01     2.786942029    
H         0.4458102609       -0.7050599589         2.235641453    
H         0.5024630511        0.8047198986         2.321785850    
O         0.4931598830        -1.820241108        0.4212156385    
H         0.8000017685        -2.704131857        0.2131438797    
H        -0.4283961403        -1.771437057        0.1141060040    
O         -2.238384429        0.9348332936         1.590114517    
H         -1.694928107         1.685728116         1.318590992    
H         -1.663968707        0.5211480736         2.254352956    
    18
Energy=    -45.2377304034330    
O         -1.931146945       -0.7582871972       -0.4839970543    
H         -2.752238955        -1.028945501       -0.8844609419    
H         -2.163586834       -0.1627760007        0.2677017496    
O         0.2229712496         2.223837732        0.8672439636    
H         0.3883835750         1.723617771        0.4348303737E-01
H         0.6931436012         3.050962071        0.7753561237    
O         0.4953654245        0.5225242991        -1.258307972    
H         0.9506630449       -0.2083328534       -0.8218005954    
H        -0.4141552084        0.1946909395        -1.286166555    
O         0.1707747883        0.3297297039E-01     2.796043308    
H         0.4476959676       -0.7019504040         2.240939968    
H         0.5023113561        0.8048513845         2.322714491    
O         0.4909082868        -1.820029914        0.4272345044    
H         0.7999965396        -2.697355511        0.2003993018    
H        -0.4243312135        -1.781087439        0.1103043146    
O         -2.240812038        0.9386545125         1.587810951    
H         -1.695864552         1.688465181         1.320538118    
H         -1.669730089        0.5212009604         2.253053289    
    18
Energy=    -44.8899479357152    
O         -1.929466907       -0.7475530545       -0.4565397517    
H         -2.737769544        -1.024283934       -0.8997147107    
H         -2.192545005       -0.1274902294        0.2584174436    
O         0.2172231440         2.216084949        0.8631590716    
H         0.3872761983         1.717948965        0.3929653697E-01
H         0.6945733564         3.040473170        0.7792109196    
O         0.4883924395        0.5128700760        -1.261603422    
H         0.9540730950       -0.2157439105       -0.8366413690    
H        -0.4197626001        0.1778114506        -1.284284938    
O         0.2194211663        0.3565019906E-01     2.831926557    
H         0.4589987749       -0.7069922573         2.267589150    
H         0.4847609118        0.8116287950         2.322934691    
O         0.4912934966        -1.840425876        0.4473898834    
H         0.8177925746        -2.687869635        0.1491695055    
H        -0.4130805349        -1.779237869        0.1217954775    
O         -2.254203324        0.9479274725         1.578386097    
H         -1.701631995         1.699964183         1.320755147    
H         -1.694997247        0.5122505051         2.236843711    
    18
Energy=    -44.8229476885844    
O         -1.935759544       -0.7459060643       -0.4546029055    
H         -2.732551252        -1.018516236       -0.9038293583    
H         -2.203542557       -0.1150533848        0.2544344923    
O         0.2167375063         2.213147865        0.8624457586    
H         0.3868775742         1.715589958        0.3812749248E-01
H         0.6946700755         3.037055460        0.7798935786    
O         0.4844991977        0.5105150126        -1.261099080    
H         0.9547898501       -0.2197309961       -0.8413524907    
H        -0.4218757799        0.1729731041        -1.283935195    
O         0.2306654066        0.3698216490E-01     2.839638746    
H         0.4716439161       -0.7097015346         2.283402686    
H         0.4768238850        0.8108202900         2.318285003    
O         0.5025386364        -1.848308001        0.4529928515    
H         0.8240556935        -2.690418625        0.1304938576    
H        -0.4106990255        -1.768939169        0.1370266913    
O         -2.259861085        0.9533782943         1.573900154    
H         -1.704234701         1.701120144         1.320753476    
H         -1.704429797        0.5080047191         2.231514242    
    18
Energy=    -44.5732013679938    
O         -1.950706423       -0.7344594205       -0.4613289747    
H         -2.744381475        -1.000342453       -0.9225041319    
H         -2.225117218       -0.9812373547E-01    0.2385278572    
O         0.2185917684         2.204284576        0.8631435362    
H         0.3854234427         1.707576518        0.3739037271E-01
H         0.6937881130         3.029879610        0.7801507636    
O         0.4759346397        0.5050693913        -1.255016381    
H         0.9518943408       -0.2297833037       -0.8497184119    
H        -0.4295039107        0.1654990081        -1.282284514    
O         0.2227776531        0.3995591282E-01     2.840090218    
H         0.5335484917       -0.7172412202         2.338449310    
H         0.4612522035        0.7986035854         2.288544028    
O         0.5529024191        -1.860929319        0.4532630840    
H         0.8169780062        -2.704247976        0.8517166526E-01
H        -0.3800374258        -1.728362447        0.2161695644    
O         -2.276921754        0.9633646062         1.567064704    
H         -1.704477518         1.700868343         1.320096883    
H         -1.731597355        0.5014013244         2.220880426    
    18
Energy=    -44.3451277024540    
O         -1.961079205       -0.7270626225       -0.4701362397    
H         -2.755071337       -0.9880519296       -0.9346310463    
H         -2.236477373       -0.9136626412E-01    0.2284317373    
O         0.2201643895         2.198558731        0.8641926733    
H         0.3844539957         1.702075588        0.3750743707E-01
H         0.6928674607         3.025511833        0.7801285350    
O         0.4709707933        0.5019816628        -1.250551767    
H         0.9489395659       -0.2360411729       -0.8535855741    
H        -0.4344607065        0.1621912043        -1.280962728    
O         0.2081512153        0.4210683402E-01     2.831445683    
H         0.5784326119       -0.7219252926         2.376972069    
H         0.4536566639        0.7883997399         2.268094104    
O         0.5880840406        -1.864426998        0.4499829192    
H         0.8022627135        -2.712071511        0.5782695640E-01
H        -0.3511315046        -1.704310188        0.2736835440    
O         -2.287071771        0.9695148470         1.563678314    
H         -1.703517563         1.699550806         1.319796563    
H         -1.748825989        0.4983777322         2.216216821    
    18
Energy=    -44.0261338327860    
O         -1.968638650       -0.7217669985       -0.4780198696    
H         -2.763546970       -0.9791432343       -0.9431893665    
H         -2.243704760       -0.8809169565E-01    0.2213655635    
O         0.2213454208         2.194444271        0.8652045488    
H         0.3837752615         1.698052574        0.3776066618E-01
H         0.6920454641         3.022348356        0.7800809476    
O         0.4677102875        0.4998882731        -1.247134601    
H         0.9463926884       -0.2404252870       -0.8557795104    
H        -0.4380175252        0.1603517558        -1.279954199    
O         0.1925057123        0.4716159673E-01     2.819605983    
H         0.6144405144       -0.7271190977         2.406857474    
H         0.4486265662        0.7789043259         2.254018305    
O         0.6182305766        -1.862290481        0.4482580445    
H         0.7859364976        -2.717414789        0.3894085560E-01
H        -0.3294642944        -1.690663356        0.3149280946    
O         -2.293643352        0.9737891860         1.561771299    
H         -1.702506452         1.698382064         1.319530123    
H         -1.761138985        0.4966055375         2.213845642    
    18
Energy=    -43.9038931877363    
O         -1.970085165       -0.7206954488       -0.4795399385    
H         -2.765270054       -0.9774115272       -0.9448999366    
H         -2.245084308       -0.8750245810E-01    0.2199619234    
O         0.2215826006         2.193660199        0.8654050155    
H         0.3836441108         1.697257756        0.3781484965E-01
H         0.6918694765         3.021707582        0.7800747766    
O         0.4671157237        0.4994196373        -1.246436309    
H         0.9458568976       -0.2412336498       -0.8562229637    
H        -0.4387261701        0.1600000892        -1.279751476    
O         0.1893971050        0.4782380024E-01     2.817141367    
H         0.6213639610       -0.7279703126         2.412720658    
H         0.4478019319        0.7771804083         2.251332912    
O         0.6231212174        -1.860159276        0.4483009817    
H         0.7829731235        -2.720128816        0.3447037808E-01
H        -0.3244461350        -1.687972345        0.3234285099    
O         -2.294909948        0.9746042721         1.561406487    
H         -1.702293098         1.698154995         1.319478497    
H         -1.763563269        0.4962780946         2.213404267    
    18
Energy=    -43.4881490579758    
O         -1.983296207       -0.7119583992       -0.4965650708    
H         -2.781881475       -0.9619494704       -0.9599903991    
H         -2.255107734       -0.8525144704E-01    0.2084752874    
O         0.2234982133         2.186327465        0.8675204283    
H         0.3824611019         1.689913594        0.3876156429E-01
H         0.6901337714         3.016144876        0.7800317797    
O         0.4618431400        0.4964435467        -1.240564563    
H         0.9402830647       -0.2486950003       -0.8585984356    
H        -0.4444541702        0.1579143107        -1.277658703    
O         0.1603146408        0.3679034554E-01     2.782489447    
H         0.6797969255       -0.7234559011         2.473320766    
H         0.4428145582        0.7655709142         2.225624333    
O         0.6751448974        -1.862632776        0.4390410588    
H         0.7423283150        -2.719300022        0.5145253347E-02
H        -0.2744322086        -1.664628204        0.4007858813    
O         -2.305016009        0.9817003316         1.558847135    
H         -1.699586771         1.695590194         1.319113603    
H         -1.784496054        0.4944886416         2.212310634    
    18
Energy=    -42.6997572306466    
O         -2.000395997       -0.7009992880       -0.5194229318    
H         -2.803674153       -0.9421068264       -0.9794811865    
H         -2.267139640       -0.8329869631E-01    0.1940430814    
O         0.2258514828         2.176872902        0.8703416730    
H         0.3809514880         1.680311946        0.4010200140E-01
H         0.6878487869         3.009045638        0.7799971945    
O         0.4550443970        0.4929639196        -1.233248220    
H         0.9328611424       -0.2583445525       -0.8611467399    
H        -0.4515980197        0.1555428729        -1.274807174    
O         0.1262623146        0.1223088142E-01     2.733782034    
H         0.7488685848       -0.7097742421         2.552628310    
H         0.4384147592        0.7527001011         2.193456181    
O         0.7365227195        -1.869887669        0.4227135674    
H         0.6880434365        -2.714947835       -0.3141988966E-01
H        -0.2028329175        -1.632738274        0.5043000764    
O         -2.317617834        0.9908011635         1.555645097    
H         -1.695863808         1.692021972         1.318762706    
H         -1.811198741        0.4926189864         2.211844219    
    18
Energy=    -42.2930521230201    
O         -2.011885244       -0.6938201157       -0.5346900032    
H         -2.818116638       -0.9291681070       -0.9923159175    
H         -2.274217808       -0.8287393548E-01    0.1845925232    
O         0.2273942187         2.170720786        0.8722402031    
H         0.3799385826         1.673859546        0.4103724153E-01
H         0.6862794666         3.004353115        0.7800439058    
O         0.4508861143        0.4906671341        -1.228478279    
H         0.9276508187       -0.2643600162       -0.8626215374    
H        -0.4562211144        0.1541723329        -1.272832876    
O         0.1097397469       -0.5607887660E-02     2.694766447    
H         0.7886839193       -0.6945291866         2.605111786    
H         0.4346161704        0.7395941420         2.177768669    
O         0.7679804032        -1.878464085        0.4078456232    
H         0.6536571028        -2.710625432       -0.5477709988E-01
H        -0.1486499181        -1.608777121        0.5760654161    
O         -2.325110429        0.9965445249         1.554037332    
H         -1.693431257         1.689314785         1.318673788    
H         -1.828846136        0.4920125216         2.211622776    
    18
Energy=    -42.2621876375651    
O         -2.013489817       -0.6928224522       -0.5368342459    
H         -2.820137814       -0.9273660629       -0.9941091098    
H         -2.275203515       -0.8280951395E-01    0.1832842037    
O         0.2276046821         2.169869479        0.8725078072    
H         0.3798007741         1.672957750        0.4116634785E-01
H         0.6860620018         3.003705569        0.7800481311    
O         0.4503020034        0.4903493391        -1.227822880    
H         0.9269296498       -0.2652038858       -0.8628242454    
H        -0.4568667109        0.1539817985        -1.272553477    
O         0.1081336605       -0.8835562339E-02     2.689399754    
H         0.7934643036       -0.6918807245         2.612256069    
H         0.4341718161        0.7379626656         2.175675357    
O         0.7718855163        -1.879743706        0.4057324205    
H         0.6487017799        -2.709790803       -0.5802399309E-01
H        -0.1404506172        -1.605578184        0.5861175959    
O         -2.326154555        0.9973536900         1.553797571    
H         -1.693090979         1.688933281         1.318666322    
H         -1.831314180        0.4919303224         2.211606371    
    18
Energy=    -42.2347869167950    
O         -2.015092443       -0.6918274715       -0.5389774843    
H         -2.822156719       -0.9255668204       -0.9959001219    
H         -2.276185685       -0.8274653826E-01    0.1819793168    
O         0.2278144737         2.169019650        0.8727752396    
H         0.3796632768         1.672056389        0.4129494649E-01
H         0.6858448243         3.003059312        0.7800523725    
O         0.4497185317        0.4900329879        -1.227169568    
H         0.9262089986       -0.2660469765       -0.8630249361    
H        -0.4575108714        0.1537924278        -1.272274101    
O         0.1066261247       -0.1217329628E-01     2.684020537    
H         0.7981369044       -0.6891360160         2.619404163    
H         0.4337309948        0.7363463319         2.173587834    
O         0.7756888260        -1.881034529        0.4036067457    
H         0.6437531152        -2.708924539       -0.6124755111E-01
H        -0.1321666144        -1.602400608        0.5961537564    
O         -2.327196180        0.9981624877         1.553557434    
H         -1.692751470         1.688550748         1.318659628    
H         -1.833778087        0.4918494609         2.211591789    
    18
Energy=    -42.2105876314125    
O         -2.016693185       -0.6908351184       -0.5411192452    
H         -2.824173223       -0.9237702026       -0.9976891171    
H         -2.277164587       -0.8268465447E-01    0.1806776332    
O         0.2280237774         2.168171176        0.8730423835    
H         0.3795259402         1.671155436        0.4142296562E-01
H         0.6856280148         3.002414312        0.7800566388    
O         0.4491355411        0.4897180977        -1.226517872    
H         0.9254890541       -0.2668893507       -0.8632240275    
H        -0.4581536917        0.1536041231        -1.271994977    
O         0.1052101821       -0.1561315417E-01     2.678630771    
H         0.8027100442       -0.6862977010         2.626559531    
H         0.4332928072        0.7347401253         2.171501942    
O         0.7793883907        -1.882337453        0.4014710628    
H         0.6388224269        -2.708034042       -0.6445086940E-01
H        -0.1238068067        -1.599236464        0.6061743025    
O         -2.328236140        0.9989712003         1.553317101    
H         -1.692412808         1.688166897         1.318653716    
H         -1.836237738        0.4917697722         2.211578061    
    18
Energy=    -42.1714433880796    
O         -2.019889078       -0.6888587210       -0.5453963214    
H         -2.828198153       -0.9201850877        -1.001261303    
H         -2.279111921       -0.8256370958E-01    0.1780838947    
O         0.2284414297         2.166478564        0.8735752979    
H         0.3792512326         1.669354570        0.4167703236E-01
H         0.6851958870         3.001128440        0.7800653493    
O         0.4479709125        0.4890930035        -1.225218190    
H         0.9240521679       -0.2685715028       -0.8636185994    
H        -0.4594355224        0.1532307439        -1.271438264    
O         0.1026408791       -0.2277859761E-01     2.667826639    
H         0.8115711145       -0.6803388627         2.640894564    
H         0.4324236491        0.7315374824         2.167329319    
O         0.7864490095        -1.884988074        0.3971751517    
H         0.6290634207        -2.706215178       -0.7081597400E-01
H        -0.1068822002        -1.592906930        0.6261802081    
O         -2.330313689         1.000589101         1.552836831    
H         -1.691738163         1.687393563         1.318644735    
H         -1.841142977        0.4916141956         2.211549630    
    18
Energy=    -42.1297248625631    
O         -2.028181256       -0.6837722557       -0.5565018665    
H         -2.838642011       -0.9108929112        -1.010547492    
H         -2.284118465       -0.8224976358E-01    0.1713968551    
O         0.2295242443         2.162100666        0.8749524332    
H         0.3785318802         1.664660506        0.4232237982E-01
H         0.6840853861         2.997813219        0.7800876450    
O         0.4449318255        0.4875056957        -1.221851396    
H         0.9203435814       -0.2729486427       -0.8646307743    
H        -0.4627563189        0.1522795042        -1.270002708    
O         0.9801467679E-01   -0.4390491166E-01     2.639827618    
H         0.8323284456       -0.6624965849         2.678318412    
H         0.4303463052        0.7233604427         2.156266333    
O         0.8020043396        -1.892205320        0.3859721568    
H         0.6047333386        -2.701571023       -0.8741071591E-01
H        -0.6121855195E-01    -1.576048590        0.6782171115    
O         -2.335767915         1.004832341         1.551572190    
H         -1.689990794         1.685322664         1.318648308    
H         -1.853820712        0.4912279636         2.211453510    
    18
Energy=    -42.1221863331984    
O         -2.030332475       -0.6824661334       -0.5593950482    
H         -2.841359721       -0.9084807509        -1.012968644    
H         -2.285410632       -0.8216022171E-01    0.1696766277    
O         0.2298046713         2.160969792        0.8753062526    
H         0.3783432408         1.663435353        0.4248763472E-01
H         0.6838005173         2.996959229        0.7800921681    
O         0.4441308632        0.4871071841        -1.220980491    
H         0.9193912337       -0.2740957188       -0.8648905615    
H        -0.4636178384        0.1520369843        -1.269632458    
O         0.9738187655E-01   -0.5034997827E-01     2.632772623    
H         0.8370005863       -0.6571504773         2.688028222    
H         0.4299615862        0.7214695588         2.153203071    
O         0.8053505123        -1.894133971        0.3830999666    
H         0.5987038855        -2.700499113       -0.9183877800E-01
H        -0.4895122530E-01    -1.571476465        0.6918157493    
O         -2.337225501         1.005954121         1.551226224    
H         -1.689530322         1.684769557         1.318656708    
H         -1.857093259        0.4911240496         2.211430734    
    18
Energy=    -42.1100629704720    
O         -2.034307515       -0.6801206213       -0.5648378630    
H         -2.846439608       -0.9039298879        -1.017472872    
H         -2.287733006       -0.8220898525E-01    0.1664330773    
O         0.2301866186         2.158698078        0.8760265361    
H         0.3780402355         1.661011654        0.4287002309E-01
H         0.6831608986         2.995173650        0.7802024470    
O         0.4427567741        0.4862704069        -1.219510235    
H         0.9173601431       -0.2761723362       -0.8649088865    
H        -0.4652122425        0.1517262171        -1.268927916    
O         0.9557609145E-01   -0.6037053719E-01     2.617683138    
H         0.8463858382       -0.6486573673         2.707106547    
H         0.4284551261        0.7176664531         2.147822103    
O         0.8145397395        -1.896459689        0.3772898702    
H         0.5841911931        -2.696359462       -0.9766772374E-01
H        -0.2570661029E-01    -1.565815228        0.7148238835    
O         -2.339339441         1.007644626         1.550620513    
H         -1.688654772         1.683830422         1.318686718    
H         -1.862911463        0.4910856061         2.211850640    
    18
Energy=    -42.1210145002838    
O         -2.038207192       -0.6778206791       -0.5701733941    
H         -2.851419427       -0.8994661172        -1.021888746    
H         -2.290008036       -0.8226198222E-01    0.1632496301    
O         0.2305588064         2.156466579        0.8767357079    
H         0.3777442294         1.658631272        0.4324423022E-01
H         0.6825320612         2.993419913        0.7803123650    
O         0.4414117950        0.4854477005        -1.218071134    
H         0.9153628826       -0.2782071754       -0.8649177856    
H        -0.4667750419        0.1514243124        -1.268236833    
O         0.9415407225E-01   -0.7029371951E-01     2.602800947    
H         0.8553039354       -0.6401350017         2.725819096    
H         0.4269007030        0.7138430554         2.142614612    
O         0.8233294614        -1.898780121        0.3715792241    
H         0.5699261422        -2.692083832       -0.1032312244    
H        -0.2656785414E-02    -1.560428757        0.7372399963    
O         -2.341392733         1.009295575         1.550029758    
H         -1.687801100         1.682907291         1.318717604    
H         -1.868615773        0.4910546861         2.212265948    
    18
Energy=    -42.1290888338798    
O         -2.040254954       -0.6766501547       -0.5730085199    
H         -2.854052896       -0.8970672678        -1.024225377    
H         -2.291185047       -0.8239432384E-01    0.1615399039    
O         0.2306758472         2.155183993        0.8771406933    
H         0.3776140714         1.657297160        0.4347622609E-01
H         0.6821381151         2.992376047        0.7804324836    
O         0.4407583332        0.4849497937        -1.217380942    
H         0.9141770354       -0.2792517507       -0.8646659174    
H        -0.4676006249        0.1513428404        -1.267878100    
O         0.9367228266E-01   -0.7460004603E-01     2.593970059    
H         0.8598933543       -0.6360836147         2.736207902    
H         0.4255419840        0.7115029910         2.140060951    
O         0.8292063157        -1.899445455        0.3682566000    
H         0.5607285686        -2.688353645       -0.1045700960    
H         0.9992365057E-02    -1.559312245        0.7475498036    
O         -2.342144200         1.009946091         1.549732875    
H         -1.687346941         1.682464506         1.318746607    
H         -1.871465609        0.4911080804         2.212704848    
    18
Energy=    -42.1678911894806    
O         -2.048262353       -0.6721245572       -0.5841421783    
H         -2.864387307       -0.8876825131        -1.033417435    
H         -2.295763537       -0.8287487826E-01    0.1549144962    
O         0.2311227092         2.150192753        0.8787095562    
H         0.3770976750         1.652047500        0.4437591927E-01
H         0.6806096870         2.988315638        0.7809008111    
O         0.4381551146        0.4830675174        -1.214695480    
H         0.9095768550       -0.2833889878       -0.8636694991    
H        -0.4708306145        0.1510357593        -1.266486104    
O         0.9287287364E-01   -0.9439260354E-01     2.560996423    
H         0.8759264009       -0.6186457325         2.776183477    
H         0.4210742886        0.7036566555         2.129246424    
O         0.8507830115        -1.902374275        0.3554055622    
H         0.5257441971        -2.674714108       -0.1107213878    
H         0.5994590599E-01    -1.553641708        0.7886542291    
O         -2.345268919         1.012554814         1.548497612    
H         -1.685519172         1.680690751         1.318884112    
H         -1.882528816        0.4912909751         2.214453461    
    18
Energy=    -42.1856209115569    
O         -2.049799467       -0.6712624411       -0.5862756326    
H         -2.866368722       -0.8858844926        -1.035184775    
H         -2.296634579       -0.8296529528E-01    0.1536503622    
O         0.2312071656         2.149238318        0.8790092599    
H         0.3769974161         1.651036086        0.4454553928E-01
H         0.6803188756         2.987540993        0.7809909858    
O         0.4376516694        0.4827139243        -1.214180281    
H         0.9086989327       -0.2841859353       -0.8634772754    
H        -0.4714491721        0.1509795088        -1.266222318    
O         0.9319058844E-01   -0.9854940533E-01     2.554887695    
H         0.8784947813       -0.6149717609         2.783658132    
H         0.4202483660        0.7021802232         2.127162326    
O         0.8544560540        -1.903083773        0.3529609569    
H         0.5192437058        -2.672051299       -0.1119261686    
H         0.6978150819E-01    -1.552451591        0.7965341128    
O         -2.345881427         1.013061329         1.548257418    
H         -1.685167406         1.680340147         1.318915270    
H         -1.884640290        0.4913284640         2.214784392    
    18
Energy=    -42.2314956863656    
O         -2.052883875       -0.6695374924       -0.5905510152    
H         -2.870340683       -0.8822790850        -1.038732158    
H         -2.298376263       -0.8314700373E-01    0.1511185065    
O         0.2313751801         2.147324526        0.8796090547    
H         0.3767951817         1.649004051        0.4488425609E-01
H         0.6797364692         2.985988072        0.7811731925    
O         0.4366394606        0.4820082774        -1.213144657    
H         0.9069401748       -0.2857861410       -0.8630894105    
H        -0.4726889435        0.1508699458        -1.265697289    
O         0.9420850253E-01   -0.1070781551         2.542829739    
H         0.8832552130       -0.6073936907         2.798460132    
H         0.4185930416        0.6992038689         2.122990111    
O         0.8614670321        -1.904605105        0.3480964149    
H         0.5063561269        -2.666652242       -0.1143445110    
H         0.8971262315E-01    -1.550020361        0.8122871527    
O         -2.347114845         1.014078793         1.547775585    
H         -1.684461628         1.679628734         1.318981516    
H         -1.888864769        0.4914060063         2.215443380    
    18
Energy=    -42.2594653082014    
O         -2.054431056       -0.6686744897       -0.5926934919    
H         -2.872331610       -0.8804708203        -1.040512286    
H         -2.299248243       -0.8323820382E-01    0.1498500939    
O         0.2314582834         2.146364098        0.8799095978    
H         0.3766934000         1.647983319        0.4505343735E-01
H         0.6794444656         2.985208768        0.7812655119    
O         0.4361306659        0.4816555101        -1.212624235    
H         0.9060588698       -0.2865899653       -0.8628924838    
H        -0.4733104693        0.1508168040        -1.265436166    
O         0.9490977027E-01   -0.1114421865         2.536886935    
H         0.8854494334       -0.6034970751         2.805791999    
H         0.4177602938        0.6977047987         2.120891874    
O         0.8648267850        -1.905402234        0.3456811945    
H         0.4999524412        -2.663896701       -0.1155362865    
H         0.9980466798E-01    -1.548811654        0.8201322382    
O         -2.347734397         1.014589098         1.547533642    
H         -1.684107713         1.679268742         1.319016357    
H         -1.890977588        0.4914451914         2.215772069    
    18
Energy=    -42.3159636608242    
O         -2.071538549       -0.6591712879       -0.6163423307    
H         -2.894320877       -0.8604672010        -1.060210837    
H         -2.308885167       -0.8424209096E-01    0.1358389202    
O         0.2323436610         2.135710262        0.8832275243    
H         0.3755649607         1.636668737        0.4691115349E-01
H         0.6762074997         2.976556310        0.7823182908    
O         0.4304924908        0.4777522054        -1.206858209    
H         0.8963188044       -0.2954979658       -0.8606402151    
H        -0.4801831048        0.1502672294        -1.262593183    
O         0.1055906605       -0.1607703970         2.472997676    
H         0.9067494073       -0.5589608719         2.885641534    
H         0.4084861128        0.6808846224         2.097275562    
O         0.8999041227        -1.914444682        0.3194479710    
H         0.4300162451        -2.632522846       -0.1280155930    
H         0.2126168580        -1.536098403        0.9054301013    
O         -2.354585471         1.020223269         1.544871376    
H         -1.680202431         1.675250348         1.319429803    
H         -1.914227223        0.4918757633         2.219360457    
    18
Energy=    -42.5155450541852    
O         -2.062889208       -0.6639862914       -0.6045112151    
H         -2.883294982       -0.8705333252        -1.050304783    
H         -2.304090876       -0.8365950284E-01    0.1429333056    
O         0.2318829113         2.141090333        0.8815833515    
H         0.3761526819         1.642364973        0.4595464649E-01
H         0.6778518645         2.980951293        0.7817640702    
O         0.4332672422        0.4797874493        -1.209850830    
H         0.9012829729       -0.2911045482       -0.8617326351    
H        -0.4767235925        0.1505255346        -1.263990506    
O         0.1017457608       -0.1397201644         2.506493232    
H         0.8938702096       -0.5793691662         2.845695702    
H         0.4139335586        0.6910441089         2.107621369    
O         0.8815322835        -1.909036578        0.3332543613    
H         0.4654521550        -2.648067804       -0.1210623423    
H         0.1563433088        -1.543648905        0.8613132180    
O         -2.351285664         1.017488825         1.546076879    
H         -1.682152482         1.677308706         1.319217896    
H         -1.902530146        0.4915780630         2.217634280    
    18
Energy=    -43.1865693158025    
O         -2.080104582       -0.6547288398       -0.6274177886    
H         -2.904834422       -0.8506092128        -1.070006919    
H         -2.313477769       -0.8477021454E-01    0.1289364101    
O         0.2325731130         2.130143699        0.8846698459    
H         0.3749400497         1.630894437        0.4768953028E-01
H         0.6745466534         2.971942231        0.7831579606    
O         0.4278318574        0.4756951273        -1.203786267    
H         0.8914215107       -0.2997310390       -0.8590581321    
H        -0.4835834750        0.1502822269        -1.261595238    
O         0.1293685255       -0.1864869465         2.450695881    
H         0.8989978023       -0.5260912891         2.920677888    
H         0.4027927149        0.6648038670         2.082835762    
O         0.9015720534        -1.920848645        0.3085372691    
H         0.4053505466        -2.614516350       -0.1308588969    
H         0.2740521296        -1.530757532        0.9395616123    
O         -2.357808452         1.022709592         1.543743827    
H         -1.678367128         1.672899049         1.319901026    
H         -1.924923127        0.4921828388         2.220406229    
    18
Energy=    -43.4811766933388    
O         -2.089519779       -0.6498783972       -0.6398107909    
H         -2.916534678       -0.8395752462        -1.080922181    
H         -2.318680531       -0.8536132673E-01    0.1213490617    
O         0.2327067277         2.123829975        0.8863091047    
H         0.3742221600         1.624472201        0.4845392172E-01
H         0.6726797096         2.966674851        0.7841656303    
O         0.4247448171        0.4735327252        -1.200299273    
H         0.8859583591       -0.3046892220       -0.8571838549    
H        -0.4872911145        0.1503604023        -1.260607238    
O         0.1485087788       -0.2129399001         2.425739991    
H         0.8965708062       -0.4947071607         2.959994790    
H         0.3973364512        0.6503680409         2.066984626    
O         0.9087794661        -1.926071461        0.2972606221    
H         0.3739976600        -2.595295675       -0.1341950832    
H         0.3409343501        -1.525739210        0.9762756831    
O         -2.361235924         1.025422717         1.542399492    
H         -1.676271890         1.670329030         1.320385266    
H         -1.936557370        0.4922806569         2.221790232    
    18
Energy=    -43.5814167402104    
O         -2.106291756       -0.6415778957       -0.6617307830    
H         -2.937251861       -0.8194659370        -1.100664390    
H         -2.328269714       -0.8647978519E-01    0.1078680158    
O         0.2324153779         2.111747804        0.8890371357    
H         0.3727482172         1.612819985        0.4943244460E-01
H         0.6691572804         2.956302855        0.7865881337    
O         0.4192255831        0.4695616988        -1.193566887    
H         0.8757726158       -0.3139631178       -0.8530837500    
H        -0.4938615898        0.1509250872        -1.259581199    
O         0.1823171538       -0.2573387995         2.388119590    
H         0.8905589773       -0.4403595045         3.029279298    
H         0.3886305642        0.6267217631         2.036430012    
O         0.9271170043        -1.933854376        0.2768785906    
H         0.3149784821        -2.557106854       -0.1331560513    
H         0.4583622318        -1.522015836         1.030869081    
O         -2.366717514         1.029675634         1.539916901    
H         -1.672354521         1.665686597         1.321314373    
H         -1.956188532        0.4917336822         2.224139485    
    18
Energy=    -43.7579004838113    
O         -2.103953333       -0.6433703932       -0.6581708277    
H         -2.933969268       -0.8218093054        -1.098298076    
H         -2.327181456       -0.8634885563E-01    0.1099540271    
O         0.2316554351         2.112344719        0.8882999107    
H         0.3726640074         1.614104451        0.4869810515E-01
H         0.6694264153         2.956440490        0.7871979494    
O         0.4193821843        0.4702966753        -1.194005863    
H         0.8769639373       -0.3135895366       -0.8524232526    
H        -0.4925356704        0.1516258160        -1.260840156    
O         0.1791462440       -0.2478657300         2.406661808    
H         0.8854562917       -0.4475736266         3.015873184    
H         0.3925631671        0.6312246293         2.036736777    
O         0.9224197838        -1.931146910        0.2819259257    
H         0.3250311304        -2.559687215       -0.1263700306    
H         0.4427321521        -1.526849061         1.007839874    
O         -2.365164603         1.028492205         1.539927610    
H         -1.672833284         1.665881997         1.321479190    
H         -1.951455134        0.4908426532         2.223603845    
    18
Energy=    -44.0750021163333    
O         -2.117840103       -0.6372562661       -0.6750334273    
H         -2.950413693       -0.8044421777        -1.115302932    
H         -2.335585801       -0.8733102244E-01    0.9886088068E-01
O         0.2300351103         2.100412751        0.8899415856    
H         0.3707743784         1.603927789        0.4833665655E-01
H         0.6662980635         2.945693873        0.7909936086    
O         0.4164363684        0.4657460415        -1.187070673    
H         0.8670466110       -0.3210170640       -0.8480428696    
H        -0.4987404873        0.1528583137        -1.261945464    
O         0.2092908802       -0.2689362363         2.389896515    
H         0.8728763368       -0.4024932870         3.068294071    
H         0.3885871164        0.6047476876         2.011704964    
O         0.9435410804        -1.939219989        0.2577503601    
H         0.2770672753        -2.523170283       -0.1138535218    
H         0.5331436092        -1.527236749         1.038453097    
O         -2.367996494         1.029258288         1.538360478    
H         -1.668984429         1.661899681         1.322545072    
H         -1.965187823        0.4895716504         2.224201599    
    18
Energy=    -44.2326732768814    
O         -2.126326859       -0.6344056693       -0.6844171263    
H         -2.959718506       -0.7931239698        -1.126356158    
H         -2.341286958       -0.8767968746E-01    0.9243899257E-01
O         0.2277352435         2.091546772        0.8902328811    
H         0.3689332026         1.597254678        0.4699799143E-01
H         0.6642077556         2.937005053        0.7950485136    
O         0.4135609720        0.4631227447        -1.182713969    
H         0.8606444882       -0.3272525774       -0.8439442167    
H        -0.5017425257        0.1547315590        -1.264335165    
O         0.2224941380       -0.2758774847         2.392701261    
H         0.8627740865       -0.3756850687         3.097808661    
H         0.3920889957        0.5915848232         1.995120335    
O         0.9580063534        -1.943990057        0.2414832752    
H         0.2491224415        -2.496089174       -0.9630567136E-01
H         0.5852589413        -1.532434498         1.039775410    
O         -2.368224005         1.028510648         1.536305032    
H         -1.666611966         1.658694000         1.323708823    
H         -1.970567798        0.4871009085         2.224541131    
    18
Energy=    -44.2513282578380    
O         -2.127404424       -0.6341129536       -0.6854278158    
H         -2.960754054       -0.7916742720        -1.127810014    
H         -2.342042337       -0.8761813447E-01    0.9167482023E-01
O         0.2273367572         2.090338414        0.8902050750    
H         0.3685641876         1.596395202        0.4669251964E-01
H         0.6640269329         2.935795274        0.7957334779    
O         0.4137032110        0.4625036329        -1.182156727    
H         0.8595801200       -0.3278221755       -0.8436882680    
H        -0.5023772521        0.1548977113        -1.264810095    
O         0.2231843111       -0.2765121553         2.393195732    
H         0.8617572856       -0.3721368632         3.101320857    
H         0.3932493230        0.5902800461         1.993911789    
O         0.9587283712        -1.944891644        0.2398544204    
H         0.2463298195        -2.492908529       -0.9466577629E-01
H         0.5918604899        -1.532525427         1.039701720    
O         -2.368195835         1.027800634         1.536211653    
H         -1.666097614         1.658340790         1.323854462    
H         -1.971101292        0.4868634475         2.224292169    
    18
Energy=    -44.3414330757851    
O         -2.137819238       -0.6310126422       -0.6958828999    
H         -2.971369739       -0.7775486806        -1.141913207    
H         -2.349343134       -0.8730052399E-01    0.8411893206E-01
O         0.2238211269         2.078935209        0.8901152293    
H         0.3653740132         1.588038959        0.4417472312E-01
H         0.6620007713         2.924213435        0.8018897273    
O         0.4109665616        0.4585179656        -1.177733299    
H         0.8509186930       -0.3357639216       -0.8397930661    
H        -0.5062554048        0.1571864664        -1.268767073    
O         0.2342101817       -0.2837339517         2.398745091    
H         0.8500244706       -0.3380079691         3.135146730    
H         0.4022143535        0.5767743972         1.979447600    
O         0.9706898329        -1.951824876        0.2231197407    
H         0.2152300015        -2.462671910       -0.7825782489E-01
H         0.6562552381        -1.534446733         1.040914420    
O         -2.367782975         1.024742277         1.533131748    
H         -1.662780207         1.653682566         1.325599558    
H         -1.976006546        0.4832329330         2.224033871    
    18
Energy=    -44.3995736771075    
O         -2.143713536       -0.6299334693       -0.7003635187    
H         -2.976082883       -0.7686283303        -1.150944793    
H         -2.354198005       -0.8615078731E-01    0.8018047135E-01
O         0.2207147843         2.071211197        0.8893509225    
H         0.3619617872         1.583014571        0.4160374370E-01
H         0.6616510436         2.915361942        0.8073483435    
O         0.4087809333        0.4558548268        -1.177356927    
H         0.8452444635       -0.3424316214       -0.8386282816    
H        -0.5079820979        0.1589336929        -1.272983540    
O         0.2355881822       -0.2800495486         2.409341179    
H         0.8421358203       -0.3193395044         3.150125070    
H         0.4133736422        0.5722917603         1.979044357    
O         0.9731130562        -1.956476729        0.2143586971    
H         0.2007547908        -2.447532533       -0.7159075472E-01
H         0.6906927051        -1.531553408         1.038347908    
O         -2.365841241         1.020170717         1.530258068    
H         -1.660578425         1.649263644         1.326912311    
H         -1.975267021        0.4790065808         2.223086744    
    18
Energy=    -44.4418378069670    
O         -2.147964786       -0.6290738195       -0.7029787003    
H         -2.978504573       -0.7603655870        -1.159071874    
H         -2.358517406       -0.8447228358E-01    0.7703540744E-01
O         0.2179481501         2.064608301        0.8893033663    
H         0.3576083476         1.579027360        0.3937975147E-01
H         0.6634346061         2.906886907        0.8121649846    
O         0.4086246293        0.4511399681        -1.180661208    
H         0.8389261016       -0.3479932410       -0.8420916513    
H        -0.5107176299        0.1595139591        -1.278169483    
O         0.2394864567       -0.2724918586         2.417869778    
H         0.8356155500       -0.3091769688         3.163505113    
H         0.4218872706        0.5781715519         1.986899462    
O         0.9722727458        -1.956885746        0.2100643126    
H         0.1904476774        -2.437232916       -0.6998771310E-01
H         0.7124915016        -1.527640880         1.038800717    
O         -2.363010610         1.013522865         1.528320647    
H         -1.658111743         1.643364272         1.326860181    
H         -1.971568288        0.4721111163         2.220846909    
    18
Energy=    -44.4899719331715    
O         -2.151808024       -0.6280891729       -0.7048320365    
H         -2.979999976       -0.7501126208        -1.169268627    
H         -2.363518370       -0.8203503274E-01    0.7379352281E-01
O         0.2147421076         2.056833701        0.8886564009    
H         0.3514350248         1.574535437        0.3757520029E-01
H         0.6675369046         2.895671868        0.8179282769    
O         0.4066768921        0.4470618475        -1.189846787    
H         0.8321687991       -0.3577793282       -0.8487839064    
H        -0.5141997553        0.1595477819        -1.286038669    
O         0.2450908735       -0.2597145704         2.427530620    
H         0.8287812920       -0.3024474160         3.180810809    
H         0.4319638003        0.5953332699         2.004456882    
O         0.9693208389        -1.954109044        0.2073718424    
H         0.1816871459        -2.425491779       -0.6834899445E-01
H         0.7272425387        -1.523503582         1.038102314    
O         -2.358740089         1.001250927         1.528262729    
H         -1.653818356         1.634905713         1.325352388    
H         -1.964213647        0.4611549994         2.215368036    
    18
Energy=    -44.5557463577134    
O         -2.156243794       -0.6269651071       -0.7079932024    
H         -2.981102500       -0.7397464564        -1.178962506    
H         -2.368315157       -0.7982906987E-01    0.7063497201E-01
O         0.2119534728         2.050013049        0.8889701337    
H         0.3458868396         1.569685957        0.3586590081E-01
H         0.6718601513         2.884935359        0.8227153888    
O         0.4051267209        0.4410323538        -1.198701353    
H         0.8247552899       -0.3652905592       -0.8567416339    
H        -0.5177245518        0.1593788912        -1.293567709    
O         0.2541231631       -0.2485206019         2.433114902    
H         0.8224258626       -0.2965304389         3.200776939    
H         0.4390271364        0.6126834420         2.021343883    
O         0.9675803092        -1.950253331        0.2041011624    
H         0.1719578253        -2.412835556       -0.6596368028E-01
H         0.7410098810        -1.520623426         1.040468319    
O         -2.354518615        0.9927569731         1.526329279    
H         -1.651169497         1.624888678         1.323828425    
H         -1.956284538        0.4482328430         2.211870780    
    18
Energy=    -44.6361230200790    
O         -2.155989132       -0.6255478091       -0.7095762968    
H         -2.979136701       -0.7336167050        -1.184670672    
H         -2.368926051       -0.8019340551E-01    0.7020945336E-01
O         0.2110032115         2.048850891        0.8884571437    
H         0.3453043225         1.564966535        0.3757173692E-01
H         0.6795401195         2.878868026        0.8212545458    
O         0.4015047875        0.4383462678        -1.212114179    
H         0.8217282948       -0.3671308343       -0.8684865077    
H        -0.5220279223        0.1570767208        -1.302088763    
O         0.2643035672       -0.2358571008         2.435207705    
H         0.8211244944       -0.3047611239         3.211850753    
H         0.4408452565        0.6389504823         2.049156895    
O         0.9655211654        -1.939098235        0.2062295429    
H         0.1725841297        -2.408233936       -0.6300136803E-01
H         0.7169231650        -1.518590624         1.043477240    
O         -2.351438716        0.9835233688         1.530085955    
H         -1.649277747         1.613912703         1.319901531    
H         -1.943238245        0.4315477786         2.204625284    
    18
Energy=    -44.6837948180163    
O         -2.158800851       -0.6228471211       -0.7162505024    
H         -2.982798104       -0.7263600893        -1.191901268    
H         -2.369597498       -0.8369816581E-01    0.6749233516E-01
O         0.2101926349         2.046402288        0.8866482405    
H         0.3496641316         1.556373738        0.3892615840E-01
H         0.6837248438         2.874029362        0.8175433143    
O         0.3948518251        0.4381761825        -1.215453428    
H         0.8188232104       -0.3635470452       -0.8727060250    
H        -0.5250100643        0.1565955496        -1.309007080    
O         0.2683798321       -0.2344077798         2.442854343    
H         0.8187351863       -0.2942701605         3.223736255    
H         0.4483113011        0.6402539504         2.060361313    
O         0.9631991187        -1.935853055        0.2075784701    
H         0.1658210631        -2.399049608       -0.5717703659E-01
H         0.7196238546        -1.511489038         1.044312312    
O         -2.351308186        0.9769670020         1.534381637    
H         -1.647968392         1.606092538         1.318699768    
H         -1.935495907        0.4196444515         2.198051194    
    18
Energy=    -44.7780683757588    
O         -2.169595500       -0.6146389932       -0.7415612304    
H         -2.995978446       -0.6985496531        -1.217371831    
H         -2.374648932       -0.9423727462E-01    0.5606179057E-01
O         0.2137537277         2.034220177        0.8817806905    
H         0.3585464320         1.530248463        0.4276783781E-01
H         0.6974987159         2.854637773        0.8032862930    
O         0.3786517448        0.4429135174        -1.229832456    
H         0.8075253170       -0.3569321973       -0.8892165346    
H        -0.5400595216        0.1539035252        -1.332027654    
O         0.2913945413       -0.2237284255         2.472126317    
H         0.8094269049       -0.2664021974         3.276141291    
H         0.4673477894        0.6520772587         2.090289865    
O         0.9516351621        -1.921726193        0.2154042013    
H         0.1403194696        -2.365785180       -0.3907050057E-01
H         0.7329337620        -1.485729543         1.051716993    
O         -2.346055934        0.9510356590         1.544778305    
H         -1.645762164         1.577569267         1.314889291    
H         -1.906585070        0.3741370167         2.177927332    
    18
Energy=    -44.8128850235230    
O         -2.173819375       -0.6124599056       -0.7502183538    
H         -3.001025836       -0.6898700132        -1.225104762    
H         -2.376659904       -0.9729501992E-01    0.5129780333E-01
O         0.2188487897         2.028516360        0.8815432088    
H         0.3584831261         1.524178710        0.4239339629E-01
H         0.7008220963         2.849333137        0.7973714109    
O         0.3749390267        0.4452041778        -1.233761573    
H         0.8043057982       -0.3552152227       -0.8940622949    
H        -0.5440213961        0.1546880309        -1.337213901    
O         0.2992592202       -0.2209786214         2.482096154    
H         0.8065623352       -0.2581435843         3.293360411    
H         0.4717687596        0.6536745511         2.094866754    
O         0.9475931312        -1.916311798        0.2181831605    
H         0.1312516319        -2.355066269       -0.3230157542E-01
H         0.7382695180        -1.477765150         1.055799789    
O         -2.341802436        0.9398852935         1.546152543    
H         -1.646437182         1.569620372         1.314909382    
H         -1.897989304        0.3610179518         2.172778447    
    18
Energy=    -44.8719058801247    
O         -2.183964836       -0.6079379374       -0.7740565274    
H         -3.013640981       -0.6687973432        -1.243822926    
H         -2.380637764       -0.1056546735        0.3919578071E-01
O         0.2391540961         2.013133426        0.8828853701    
H         0.3561786397         1.510597930        0.3934626222E-01
H         0.7107906416         2.838580570        0.7763038563    
O         0.3660696096        0.4536676419        -1.246919441    
H         0.7979898289       -0.3477085452       -0.9095524189    
H        -0.5536774492        0.1585503056        -1.349415105    
O         0.3174733381       -0.2112557460         2.510215612    
H         0.8025601822       -0.2437741089         3.333551801    
H         0.4821594861        0.6606223308         2.111052636    
O         0.9305991011        -1.896330942        0.2318522525    
H         0.1142240264        -2.332045413       -0.1479920978E-01
H         0.7322833837        -1.454099033         1.068619816    
O         -2.331563306        0.9034003541         1.546639068    
H         -1.647825983         1.550535386         1.315420983    
H         -1.867824015        0.3215287982         2.161572190    
    18
Energy=    -44.9259193829740    
O         -2.188953596       -0.6068262945       -0.7808430064    
H         -3.019551991       -0.6620422848        -1.251166161    
H         -2.382842870       -0.1068023414        0.3375946130E-01
O         0.2481850925         2.005946732        0.8846137899    
H         0.3506960890         1.508849878        0.3562385016E-01
H         0.7116171316         2.834657584        0.7717725177    
O         0.3651532300        0.4544278325        -1.249907744    
H         0.7954150536       -0.3479836632       -0.9126846750    
H        -0.5551173497        0.1626180893        -1.350557603    
O         0.3220386054       -0.2105260167         2.517314039    
H         0.7998759430       -0.2344740454         3.346812339    
H         0.4863313478        0.6588006936         2.111889290    
O         0.9282656708        -1.890329337        0.2324034895    
H         0.1042208712        -2.321555834       -0.6050602861E-02
H         0.7399467962        -1.450068980         1.073803233    
O         -2.323512280        0.8897002249         1.543281783    
H         -1.650115918         1.544626694         1.318372641    
H         -1.861303826        0.3139940680         2.159653358    
    18
Energy=    -44.9646811790687    
O         -2.190812833       -0.6069045550       -0.7834250866    
H         -3.021808109       -0.6616680200        -1.252842804    
H         -2.382031334       -0.1078540437        0.3137785126E-01
O         0.2571795684         2.003583280        0.8857029676    
H         0.3469914657         1.510540318        0.3292520907E-01
H         0.7117266797         2.835893445        0.7666439180    
O         0.3656303371        0.4560352183        -1.252118241    
H         0.7963669200       -0.3452078450       -0.9145420182    
H        -0.5544897354        0.1663173128        -1.349010266    
O         0.3194802604       -0.2109503462         2.520033402    
H         0.8017728866       -0.2338460581         3.345338135    
H         0.4881276627        0.6569063089         2.114675519    
O         0.9240498538        -1.884065029        0.2362812262    
H         0.1043354688        -2.321350588       -0.1817722224E-02
H         0.7295559604        -1.447738951         1.077704873    
O         -2.318030803        0.8797685750         1.539631965    
H         -1.652707581         1.542700310         1.321469610    
H         -1.854988668        0.3108536673         2.160061463    
    18
Energy=    -44.9741956036894    
O         -2.202567765       -0.6037959327       -0.8020467233    
H         -3.036014483       -0.6451977215        -1.272637892    
H         -2.385795394       -0.1118002276        0.1997888619E-01
O         0.2746506340         1.988503623        0.8867227010    
H         0.3390918310         1.502353511        0.2650119517E-01
H         0.7165417377         2.827109326        0.7556581605    
O         0.3606332187        0.4580717076        -1.262181988    
H         0.7899784736       -0.3427669480       -0.9229865726    
H        -0.5598821924        0.1746683920        -1.355500738    
O         0.3269511038       -0.2092262115         2.537121617    
H         0.7965153273       -0.2090966692         3.374265515    
H         0.5031159088        0.6543823631         2.127761721    
O         0.9160124260        -1.867491503        0.2392493051    
H         0.8162453684E-01    -2.296393118        0.1989929390E-01
H         0.7403080185        -1.436138479         1.091046412    
O         -2.306788554        0.8451865324         1.532018654    
H         -1.652581196         1.528702189         1.327233076    
H         -1.831445631        0.2859421667         2.155987377    
    18
Energy=    -45.0096403587008    
O         -2.198671935       -0.6046814578       -0.7978024279    
H         -3.031543716       -0.6514936200        -1.266037312    
H         -2.382921220       -0.1122442237        0.2354208584E-01
O         0.2715714772         1.995216404        0.8856462003    
H         0.3437144115         1.504399617        0.2887356373E-01
H         0.7158932327         2.831566563        0.7557364682    
O         0.3615098062        0.4597065828        -1.260574494    
H         0.7931929754       -0.3396834514       -0.9211350710    
H        -0.5586511067        0.1723050463        -1.353896523    
O         0.3213711101       -0.2098447891         2.533297611    
H         0.8008465904       -0.2192260975         3.361157388    
H         0.4994692745        0.6548951829         2.127081499    
O         0.9140988002        -1.869383740        0.2430282832    
H         0.9234750636E-01    -2.307272312        0.1312777074E-01
H         0.7248821884        -1.437143092         1.088507403    
O         -2.308786909        0.8529783826         1.534922873    
H         -1.653678646         1.531680747         1.326234928    
H         -1.834295839        0.2912372592         2.156379753    
    18
Energy=    -45.0161132166519    
O         -2.199818543       -0.6039250422       -0.8002308674    
H         -3.032706011       -0.6493240344        -1.268295273    
H         -2.383165196       -0.1134623515        0.2222791319E-01
O         0.2714594934         1.994470951        0.8849043805    
H         0.3450487224         1.502235616        0.2927743681E-01
H         0.7171261094         2.830259464        0.7546508580    
O         0.3602047186        0.4604330630        -1.262094926    
H         0.7920849344       -0.3388113799       -0.9221711826    
H        -0.5600615050        0.1721054443        -1.356003454    
O         0.3223505082       -0.2085828556         2.536337594    
H         0.8003756687       -0.2172330318         3.365009322    
H         0.5015144123        0.6556769260         2.129189352    
O         0.9124570678        -1.867732601        0.2441888765    
H         0.9016519158E-01    -2.304706295        0.1481001724E-01
H         0.7255304216        -1.434988636         1.089525650    
O         -2.307748620        0.8501956256         1.535770852    
H         -1.653350515         1.529117887         1.326186761    
H         -1.831118857        0.2872842503         2.154806691    
    18
Energy=    -45.0389473813217    
O         -2.205274084       -0.6016005128       -0.8128472229    
H         -3.039030203       -0.6403342008        -1.279015890    
H         -2.384407579       -0.1182811287        0.1597426870E-01
O         0.2731832258         1.992066486        0.8823566226    
H         0.3496056744         1.494555568        0.2912615988E-01
H         0.7215669047         2.824597238        0.7501239395    
O         0.3553063906        0.4633024582        -1.270036648    
H         0.7868104380       -0.3347314719       -0.9260979516    
H        -0.5654375556        0.1731868903        -1.364253534    
O         0.3244464882       -0.2027337352         2.549774355    
H         0.7989225565       -0.2088295904         3.380058552    
H         0.5111246101        0.6580222907         2.137178090    
O         0.9039563998        -1.857750740        0.2494125222    
H         0.7957003191E-01    -2.293237772        0.2449359325E-01
H         0.7265268441        -1.427024348         1.097304082    
O         -2.300302406        0.8332468346         1.537212720    
H         -1.651546020         1.518097504         1.327754999    
H         -1.814673718        0.2704612287         2.149571343    
    18
Energy=    -45.0535903849538    
O         -2.211552480       -0.5985340339       -0.8271980104    
H         -3.047711920       -0.6314017002        -1.292200388    
H         -2.384943935       -0.1253849191        0.5792377654E-02
O         0.2736525072         1.987310091        0.8781887632    
H         0.3554840256         1.489050197        0.2920322480E-01
H         0.7278747528         2.822396394        0.7453920311    
O         0.3505546177        0.4669174279        -1.281149502    
H         0.7799358642       -0.3291676802       -0.9293168553    
H        -0.5712603753        0.1759063563        -1.373595627    
O         0.3231221598       -0.1943176997         2.564777142    
H         0.7989266808       -0.2019106312         3.394086731    
H         0.5226374983        0.6603386266         2.144728457    
O         0.8910417592        -1.842591902        0.2570786791    
H         0.6750897629E-01    -2.281110675        0.3745747429E-01
H         0.7229331551        -1.420038902         1.110796685    
O         -2.287508556        0.8098571032         1.536908677    
H         -1.648896627         1.504661656         1.331390907    
H         -1.791450103        0.2510332908         2.145749234    
    18
Energy=    -45.0800336563290    
O         -2.211695845       -0.5993674525       -0.8275784911    
H         -3.047254652       -0.6331518110        -1.291239941    
H         -2.384679852       -0.1250001345        0.5655017605E-02
O         0.2738900286         1.989882873        0.8785728237    
H         0.3551930886         1.491515053        0.2804934881E-01
H         0.7263949449         2.822784290        0.7470687239    
O         0.3516606381        0.4663661406        -1.281491811    
H         0.7797337766       -0.3293608284       -0.9278525700    
H        -0.5701378319        0.1769406380        -1.372440422    
O         0.3209007433       -0.1940270312         2.562782616    
H         0.7999341862       -0.2043168998         3.390798991    
H         0.5215854618        0.6596254872         2.141949221    
O         0.8908291644        -1.841298437        0.2572029361    
H         0.6769087804E-01    -2.282553853        0.3795373512E-01
H         0.7212637100        -1.422990482         1.112866943    
O         -2.285720459        0.8087961145         1.535646191    
H         -1.648263098         1.505841300         1.332333918    
H         -1.790976883        0.2533280330         2.147812770    
    18
Energy=    -45.0985056936399    
O         -2.211574726       -0.6006127630       -0.8297005431    
H         -3.048141137       -0.6358493272        -1.290907411    
H         -2.383931121       -0.1254847676        0.4098889076E-02
O         0.2747458507         1.992755671        0.8788067378    
H         0.3552616023         1.496359789        0.2612366959E-01
H         0.7251204546         2.825227210        0.7485505832    
O         0.3533045584        0.4663573157        -1.283339131    
H         0.7789294998       -0.3284053991       -0.9256692152    
H        -0.5686413292        0.1793754189        -1.371199300    
O         0.3163536259       -0.1926825601         2.560849221    
H         0.8025717110       -0.2092528764         3.385311990    
H         0.5202701339        0.6586168560         2.137383738    
O         0.8876369544        -1.836703937        0.2594828444    
H         0.6789574424E-01    -2.284923913        0.3990023719E-01
H         0.7148925810        -1.427016590         1.119221297    
O         -2.280360967        0.8039678587         1.533236145    
H         -1.647292254         1.506373349         1.334519691    
H         -1.786693182        0.2549116649         2.151420556    
    18
Energy=    -45.1210960674246    
O         -2.212565532       -0.6015085014       -0.8376312372    
H         -3.051575511       -0.6390204907        -1.293378615    
H         -2.381039635       -0.1308702211       -0.2155215330E-02
O         0.2758385919         1.996287946        0.8778127417    
H         0.3562863202         1.506333620        0.2155696739E-01
H         0.7248389598         2.830875266        0.7521513966    
O         0.3544607188        0.4682561441        -1.285377037    
H         0.7750292650       -0.3261051288       -0.9209720684    
H        -0.5677283127        0.1849650638        -1.374810300    
O         0.3077457074       -0.1894821426         2.561070513    
H         0.8093144420       -0.2154430782         3.376497813    
H         0.5187639136        0.6570133851         2.130528859    
O         0.8787324920        -1.828753580        0.2683581937    
H         0.6484102590E-01    -2.286708260        0.4517423122E-01
H         0.7018646136        -1.430971116         1.133486044    
O         -2.268553957        0.7939835777         1.533735054    
H         -1.643283521         1.503020616         1.335731329    
H         -1.772621582        0.2511399001         2.156311331    
    18
Energy=    -45.1368952158266    
O         -2.211740628       -0.6026430849       -0.8480937922    
H         -3.056756188       -0.6394697081        -1.298340087    
H         -2.378573196       -0.1366317288       -0.6429398568E-02
O         0.2781546086         1.997682309        0.8761876292    
H         0.3557133731         1.514812294        0.1693073945E-01
H         0.7258901501         2.834578214        0.7560537425    
O         0.3538862593        0.4702559620        -1.285351530    
H         0.7698203618       -0.3246333172       -0.9177947902    
H        -0.5680158909        0.1903155710        -1.382582854    
O         0.3030289281       -0.1860720198         2.563622900    
H         0.8157559104       -0.2174539628         3.372054250    
H         0.5174125370        0.6574153080         2.128659526    
O         0.8704432713        -1.824260126        0.2786189512    
H         0.6018078518E-01    -2.285550226        0.5025157392E-01
H         0.6904016898        -1.430719245         1.144538074    
O         -2.258835799        0.7859926162         1.538331525    
H         -1.638634053         1.496162399         1.333935362    
H         -1.757784120        0.2432317438         2.157498179    
    18
Energy=    -45.1519270681663    
O         -2.212523526       -0.6022007981       -0.8490462003    
H         -3.056634266       -0.6389948922        -1.298974293    
H         -2.377945964       -0.1382919284       -0.7489224445E-02
O         0.2779995845         1.997542438        0.8760649080    
H         0.3547050976         1.516061859        0.1569064866E-01
H         0.7259335891         2.834638514        0.7583753426    
O         0.3537260037        0.4705053787        -1.283374620    
H         0.7683482438       -0.3258144767       -0.9164969415    
H        -0.5683175230        0.1910158007        -1.385315834    
O         0.3034565960       -0.1861633989         2.564270102    
H         0.8165869815       -0.2154184376         3.371931555    
H         0.5168224566        0.6572677539         2.128618004    
O         0.8708751765        -1.826919116        0.2794204879    
H         0.5836916008E-01    -2.284273199        0.5078355593E-01
H         0.6918508848        -1.429973924         1.144049046    
O         -2.259415253        0.7869216185         1.540540102    
H         -1.636804252         1.494696901         1.332316758    
H         -1.756684991        0.2424129077         2.156726604    
    18
Energy=    -45.1726183833158    
O         -2.214638774       -0.6010621702       -0.8563539716    
H         -3.059023055       -0.6352749111        -1.303960505    
H         -2.377068762       -0.1440953449       -0.1141327157E-01
O         0.2784654545         1.996843447        0.8756334383    
H         0.3519621753         1.519500545        0.1189490092E-01
H         0.7271462224         2.833952586        0.7654209072    
O         0.3523866946        0.4710181553        -1.280659511    
H         0.7608296711       -0.3284981765       -0.9125402707    
H        -0.5692971810        0.1944732252        -1.396207730    
O         0.3065605291       -0.1844980425         2.568092309    
H         0.8201319072       -0.2074822521         3.375567483    
H         0.5160425057        0.6589135421         2.130839024    
O         0.8693635043        -1.832574413        0.2837349155    
H         0.4966095339E-01    -2.277156693        0.5621340369E-01
H         0.6937797573        -1.426266676         1.144761910    
O         -2.257821781        0.7832350375         1.545278432    
H         -1.630367401         1.485516592         1.328665500    
H         -1.747764421        0.2364685499         2.153123036    
    18
Energy=    -45.1832867509569    
O         -2.216927978       -0.5999087952       -0.8649104120    
H         -3.063064004       -0.6309694327        -1.309682910    
H         -2.377483734       -0.1492422908       -0.1591464730E-01
O         0.2795878851         1.996377768        0.8752025693    
H         0.3512484460         1.522746338        0.1108140138E-01
H         0.7283520979         2.833145437        0.7703195626    
O         0.3517099994        0.4708445581        -1.282896867    
H         0.7522374319       -0.3290078555       -0.9077827489    
H        -0.5696451901        0.1989606326        -1.405660797    
O         0.3106838470       -0.1815059647         2.572866884    
H         0.8248561977       -0.2003221093         3.380538541    
H         0.5162558396        0.6615340808         2.132673160    
O         0.8642036727        -1.833807551        0.2883355102    
H         0.3948722441E-01    -2.270249323        0.6408231765E-01
H         0.6925267618        -1.422127379         1.147933229    
O         -2.251181999        0.7714276813         1.543139282    
H         -1.625596408         1.475995861         1.327777402    
H         -1.736902090        0.2291213457         2.150988525    
    18
Energy=    -45.1885966601311    
O         -2.218519259       -0.5991177352       -0.8718301212    
H         -3.066551214       -0.6278347575        -1.314053749    
H         -2.377774305       -0.1532396619       -0.1920373377E-01
O         0.2799234327         1.996421581        0.8780222366    
H         0.3512617244         1.525087812        0.9074157610E-02
H         0.7297446932         2.834000321        0.7738153635    
O         0.3519738444        0.4710464103        -1.285344241    
H         0.7452634667       -0.3296749261       -0.9029376378    
H        -0.5699604326        0.2029846779        -1.413318293    
O         0.3149750649       -0.1788651564         2.576282045    
H         0.8298500292       -0.1946755458         3.383568596    
H         0.5158916868        0.6639305642         2.134360546    
O         0.8590356321        -1.834582237        0.2926446908    
H         0.3093030803E-01    -2.265626711        0.7051806747E-01
H         0.6894912366        -1.418414548         1.150331595    
O         -2.244114743        0.7602597479         1.539577105    
H         -1.622493095         1.468519247         1.326857484    
H         -1.728580069        0.2227939168         2.149725889    
    18
Energy=    -45.2133205120865    
O         -2.220689605       -0.5985163891       -0.8771979722    
H         -3.070059298       -0.6286138455        -1.315785502    
H         -2.374126480       -0.1568285231       -0.2201819750E-01
O         0.2759446056         2.002393181        0.8807357189    
H         0.3569461096         1.528946534        0.1676965321E-01
H         0.7287568758         2.838283366        0.7802975194    
O         0.3552090939        0.4702075039        -1.280909947    
H         0.7382995723       -0.3322411710       -0.8924166253    
H        -0.5672875475        0.2085799434        -1.420246351    
O         0.3270047363       -0.1789885484         2.573883727    
H         0.8432865564       -0.1860864777         3.379587178    
H         0.5142625265        0.6678846870         2.132941607    
O         0.8470307257        -1.836015518        0.2938550501    
H         0.1785189633E-01    -2.266856165        0.7559236279E-01
H         0.6850100851        -1.416904032         1.152223740    
O         -2.235676161        0.7484120468         1.528488248    
H         -1.621921714         1.464449401         1.320800428    
H         -1.729493977        0.2149070074         2.151489364    
    18
Energy=    -45.2251748291550    
O         -2.222919985       -0.5989973232       -0.8866433682    
H         -3.075460347       -0.6274327826        -1.319328572    
H         -2.370000287       -0.1616044256       -0.2802701018E-01
O         0.2747513919         2.006504817        0.8839173441    
H         0.3595669902         1.531461956        0.2055657994E-01
H         0.7288175790         2.842155937        0.7857607462    
O         0.3573240052        0.4714997693        -1.273988862    
H         0.7312500701       -0.3362641172       -0.8857139181    
H        -0.5646813643        0.2148127771        -1.427414275    
O         0.3387531232       -0.1760797679         2.574409766    
H         0.8559636079       -0.1763186725         3.379500358    
H         0.5156542366        0.6720577112         2.132967069    
O         0.8342012018        -1.834695902        0.2959820308    
H         0.2534562481E-02    -2.264279661        0.8323086946E-01
H         0.6803025829        -1.415997275         1.155282971    
O         -2.230341974        0.7357833493         1.522407102    
H         -1.619747660         1.454908729         1.315777016    
H         -1.725619734        0.2054978793         2.149414153    
    18
Energy=    -45.2452911912437    
O         -2.226068767       -0.6015598370       -0.9039811073    
H         -3.084784495       -0.6250256721        -1.324887661    
H         -2.363466187       -0.1687756357       -0.4123922268E-01
O         0.2743813455         2.010932615        0.8891591623    
H         0.3612385498         1.533489023        0.2659043774E-01
H         0.7281729895         2.846786424        0.7915786695    
O         0.3605280987        0.4735303017        -1.261697571    
H         0.7224313989       -0.3425614942       -0.8787468327    
H        -0.5594470795        0.2252955604        -1.433110587    
O         0.3557383255       -0.1682405451         2.578438810    
H         0.8751729214       -0.1603309338         3.381894514    
H         0.5250695790        0.6797210723         2.132627683    
O         0.8120504918        -1.830577677        0.2956506219    
H        -0.2385567628E-01    -2.257744288        0.9653415774E-01
H         0.6762006693        -1.417216189         1.160364971    
O         -2.226725629        0.7172085105         1.515713510    
H         -1.616816089         1.437389541         1.310235340    
H         -1.719472448        0.1906922236         2.142965105    
    18
Energy=    -45.2726607334041    
O         -2.222624452       -0.6061174533       -0.9229717920    
H         -3.085964738       -0.6367149529        -1.333411584    
H         -2.356199518       -0.1808285370       -0.5629487857E-01
O         0.2736425417         2.018194961        0.8967976917    
H         0.3604225577         1.540862453        0.3547034469E-01
H         0.7183876696         2.857974273        0.7934581331    
O         0.3696809659        0.4781413939        -1.253324048    
H         0.7197336175       -0.3387168104       -0.8632001218    
H        -0.5517210052        0.2390727331        -1.426841505    
O         0.3714223753       -0.1506212964         2.579559056    
H         0.9075325685       -0.1558461772         3.372243698    
H         0.5483898081        0.6953454408         2.132573497    
O         0.7821726855        -1.844300081        0.2999897968    
H        -0.6361212281E-01    -2.253146609        0.1039354419    
H         0.6575222781        -1.426180358         1.163860394    
O         -2.225501884        0.7038148494         1.510055294    
H         -1.615699688         1.426691670         1.311507913    
H         -1.717235660        0.1753875011         2.134682668    
    18
Energy=    -45.2821444381071    
O         -2.216414051       -0.6089027928       -0.9244430435    
H         -3.079743997       -0.6481435635        -1.335020856    
H         -2.355109776       -0.1842624496       -0.5902168799E-01
O         0.2714749358         2.025437340        0.8992497331    
H         0.3614458312         1.545940273        0.3905293559E-01
H         0.7109247674         2.867901452        0.7942242558    
O         0.3740111407        0.4812306060        -1.245250557    
H         0.7227769405       -0.3362716192       -0.8552224200    
H        -0.5470745258        0.2422381140        -1.423306906    
O         0.3783442611       -0.1463649250         2.574931043    
H         0.9252266200       -0.1612794619         3.360298523    
H         0.5544283298        0.7018323434         2.131697823    
O         0.7702184413        -1.856663407        0.3032578274    
H        -0.7938944775E-01    -2.254879922        0.1000378636    
H         0.6435268313        -1.431983873         1.163862437    
O         -2.225598280        0.7035185818         1.506014671    
H         -1.616874148         1.428787616         1.313718303    
H         -1.721825873        0.1748786868         2.134010054    
    18
Energy=    -45.2884302780127    
O         -2.214161975       -0.6100147260       -0.9245373608    
H         -3.075195487       -0.6529320937        -1.339094462    
H         -2.355763711       -0.1848019253       -0.5934704308E-01
O         0.2714580536         2.028133328        0.8993652372    
H         0.3619627308         1.546898252        0.3991447655E-01
H         0.7077392568         2.871955569        0.7919057988    
O         0.3742547627        0.4832427913        -1.242196198    
H         0.7248292892       -0.3349134965       -0.8547124810    
H        -0.5456184937        0.2418815694        -1.422980846    
O         0.3819824534       -0.1448087595         2.575176166    
H         0.9325010302       -0.1642067855         3.357884888    
H         0.5577046982        0.7047578187         2.134545844    
O         0.7640710823        -1.860808241        0.3056349618    
H        -0.8769760451E-01    -2.252313890        0.9778989804E-01
H         0.6361940703        -1.432584699         1.164725336    
O         -2.224426024        0.7013981116         1.504680649    
H         -1.618070209         1.429264000         1.315908101    
H         -1.721415923        0.1728661765         2.133427035    
    18
Energy=    -45.2947986156043    
O         -2.211004205       -0.6120506853       -0.9229215295    
H         -3.069286236       -0.6580468105        -1.342984665    
H         -2.357164771       -0.1841218281       -0.5958189521E-01
O         0.2707259018         2.031739063        0.8991434688    
H         0.3621152441         1.548974072        0.4040676069E-01
H         0.7042202976         2.876759272        0.7901360088    
O         0.3745126867        0.4841704989        -1.238447567    
H         0.7271131608       -0.3349889696       -0.8544972521    
H        -0.5440584146        0.2405247580        -1.423176714    
O         0.3842811722       -0.1448505033         2.575410795    
H         0.9396214738       -0.1676752181         3.354859924    
H         0.5590680155        0.7057004511         2.136483253    
O         0.7584793650        -1.864398636        0.3075431522    
H        -0.9531785547E-01    -2.248559796        0.9472330430E-01
H         0.6294755211        -1.433218246         1.165048357    
O         -2.223038550        0.7001623992         1.504079067    
H         -1.618722138         1.430109723         1.317768654    
H         -1.720672670        0.1727834567         2.134096878    
    18
Energy=    -45.3037774860344    
O         -2.206877233       -0.6157470572       -0.9228092262    
H         -3.061417186       -0.6636411057        -1.350340202    
H         -2.359188374       -0.1837213877       -0.6232377824E-01
O         0.2691986481         2.036578909        0.8997095604    
H         0.3616022641         1.551525189        0.4241053927E-01
H         0.6992338689         2.883012841        0.7878874663    
O         0.3755378058        0.4840995715        -1.234923402    
H         0.7284042708       -0.3365667273       -0.8537995201    
H        -0.5416127117        0.2389020945        -1.423624578    
O         0.3894767516       -0.1436877507         2.578495068    
H         0.9508194262       -0.1693239868         3.353468911    
H         0.5627326837        0.7074031068         2.140254248    
O         0.7482858998        -1.868161148        0.3088814767    
H        -0.1114875869        -2.238453863        0.9251304963E-01
H         0.6223274743        -1.433202874         1.165215910    
O         -2.220545212        0.6960389736         1.503792239    
H         -1.618694725         1.428200316         1.319186534    
H         -1.717448065        0.1697578975         2.134095704    
    18
Energy=    -45.3163517954477    
O         -2.198154893       -0.6238996963       -0.9205213733    
H         -3.046287030       -0.6760766091        -1.360116733    
H         -2.361045841       -0.1825061151       -0.6670090697E-01
O         0.2654206588         2.046454531        0.9014598896    
H         0.3603838959         1.558212611        0.4684634129E-01
H         0.6890807283         2.895696784        0.7844187582    
O         0.3795541250        0.4821922033        -1.228857684    
H         0.7325467617       -0.3397020924       -0.8510502919    
H        -0.5361593160        0.2358581187        -1.420541219    
O         0.3953717091       -0.1427291853         2.581185955    
H         0.9711112617       -0.1749474056         3.346607944    
H         0.5676463383        0.7081516151         2.143353313    
O         0.7297749334        -1.873596005        0.3094111794    
H        -0.1367547563        -2.222687031        0.8676575538E-01
H         0.6083762357        -1.435760329         1.164521510    
O         -2.217867800        0.6927678450         1.504419905    
H         -1.618503050         1.426968835         1.321121342    
H         -1.714145961        0.1686149250         2.135766315    
    18
Energy=    -45.3251552958436    
O         -2.193528231       -0.6298472626       -0.9244485921    
H         -3.038540509       -0.6808988569        -1.370259780    
H         -2.361660110       -0.1848647446       -0.7350602478E-01
O         0.2627365137         2.051642747        0.9040681085    
H         0.3591137148         1.561991847        0.5126458719E-01
H         0.6822439506         2.902373183        0.7832616695    
O         0.3832308386        0.4796940638        -1.226416376    
H         0.7315461649       -0.3434547373       -0.8471234210    
H        -0.5327603176        0.2359784429        -1.421224999    
O         0.4045712773       -0.1393321145         2.588051682    
H         0.9871640004       -0.1716672160         3.347288646    
H         0.5742710662        0.7107496082         2.147580236    
O         0.7123683087        -1.876046479        0.3087445605    
H        -0.1643674164        -2.204005979        0.8771980206E-01
H         0.6022833287        -1.434906716         1.163933364    
O         -2.214249857        0.6842155354         1.504381282    
H         -1.616303863         1.420175975         1.320391550    
H         -1.707770861        0.1612157044         2.134383706    
    18
Energy=    -45.3374642718779    
O         -2.184839544       -0.6381451740       -0.9239995776    
H         -3.027748792       -0.6934977133        -1.372575849    
H         -2.357772581       -0.1889695602       -0.7723552230E-01
O         0.2570225378         2.059433881        0.9078325530    
H         0.3582469646         1.569785560        0.5671517157E-01
H         0.6709248719         2.912746346        0.7851603953    
O         0.3922453786        0.4763830185        -1.223327299    
H         0.7345940490       -0.3459087791       -0.8372713463    
H        -0.5256498213        0.2363567617        -1.413310116    
O         0.4085360291       -0.1366557417         2.586540672    
H          1.005736522       -0.1757445967         3.334612735    
H         0.5789948858        0.7124012781         2.145247502    
O         0.6944778085        -1.881724697        0.3052929560    
H        -0.1874114878        -2.191689859        0.8316592224E-01
H         0.5915568815        -1.441170187         1.160809533    
O         -2.214971141        0.6866837005         1.505337398    
H         -1.613956346         1.419879776         1.319312877    
H         -1.709638216        0.1628489861         2.135781995    
    18
Energy=    -45.3666860777123    
O         -2.166121713       -0.6540851597       -0.9229323801    
H         -3.003934284       -0.7189472502        -1.380292050    
H         -2.348961114       -0.2053287813       -0.7805760802E-01
O         0.2491525493         2.067745140        0.9119695890    
H         0.3599613282         1.578392740        0.6214949092E-01
H         0.6434159701         2.930371349        0.7868490210    
O         0.4095675120        0.4753290458        -1.216202798    
H         0.7439907872       -0.3447166924       -0.8182823707    
H        -0.5103873751        0.2360586002        -1.400925894    
O         0.4244985317       -0.1325214022         2.583754859    
H          1.040682324       -0.1826688669         3.314374300    
H         0.5886523120        0.7189802063         2.145696273    
O         0.6519060119        -1.893214005        0.3006881026    
H        -0.2456218740        -2.151973134        0.7207950888E-01
H         0.5690851434        -1.449445109         1.156561968    
O         -2.212231039        0.6867479845         1.502348548    
H         -1.609924464         1.420588033         1.320620980    
H         -1.713382606        0.1617003017         2.137690459    
    18
Energy=    -45.4008752372897    
O         -2.143872741       -0.6738489192       -0.9188700429    
H         -2.975364995       -0.7455936907        -1.386880302    
H         -2.338033940       -0.2265759423       -0.7551028977E-01
O         0.2418229148         2.073161171        0.9131184151    
H         0.3643081907         1.585663215        0.6338495219E-01
H         0.6118335382         2.946920280        0.7880336988    
O         0.4273995664        0.4756165591        -1.209055989    
H         0.7570815637       -0.3418716078       -0.8008433277    
H        -0.4931882670        0.2339916019        -1.391505809    
O         0.4402190266       -0.1315001120         2.580832124    
H          1.074533160       -0.1914893763         3.294047705    
H         0.5948059058        0.7244942395         2.148559358    
O         0.6012437823        -1.897868860        0.2964573963    
H        -0.3106524357        -2.097675897        0.5827813515E-01
H         0.5412284476        -1.455372701         1.154784489    
O         -2.205819506        0.6842415628         1.499581724    
H         -1.603893852         1.419931480         1.322142869    
H         -1.713302358        0.1607899972         2.141534893    
    18
Energy=    -45.4441801119762    
O         -2.123763179       -0.6919479840       -0.9052028567    
H         -2.950485000       -0.7656063691        -1.381278548    
H         -2.325857783       -0.2447411995       -0.6341772890E-01
O         0.2372439580         2.070911500        0.9089642948    
H         0.3705942134         1.587446044        0.5738843401E-01
H         0.5869930954         2.953194989        0.7890868567    
O         0.4405914483        0.4778449628        -1.206203937    
H         0.7733885745       -0.3363544366       -0.7930818790    
H        -0.4786965352        0.2289290313        -1.385803250    
O         0.4437653150       -0.1368964974         2.573965312    
H          1.087157096       -0.2046063497         3.276527046    
H         0.5899595609        0.7251022439         2.150625365    
O         0.5656506429        -1.891579227        0.2912483421    
H        -0.3485837740        -2.050444836        0.4150872575E-01
H         0.5169263853        -1.457709020         1.153326767    
O         -2.201550486        0.6884268123         1.499511042    
H         -1.598056994         1.422740311         1.322492088    
H         -1.714928539        0.1683030250         2.148433927    
    18
Energy=    -45.5052103897752    
O         -2.109618923       -0.7098874377       -0.8905602521    
H         -2.928161259       -0.7748780366        -1.381485370    
H         -2.322701190       -0.2463319286       -0.5986801948E-01
O         0.2362455878         2.070202715        0.9044776896    
H         0.3715112320         1.587445943        0.5297824418E-01
H         0.5751238087         2.954631402        0.7846641410    
O         0.4427431735        0.4804856614        -1.200086305    
H         0.7835750795       -0.3379060634       -0.8020827281    
H        -0.4683004459        0.2252293907        -1.395423311    
O         0.4459179470       -0.1389173318         2.579968347    
H          1.095999957       -0.2095113729         3.278460980    
H         0.5892996252        0.7255743573         2.161932078    
O         0.5378028594        -1.884837857        0.2896507104    
H        -0.3793320843        -2.005881808        0.3122417980E-01
H         0.4954587623        -1.450071994         1.151036483    
O         -2.196338969        0.6784092462         1.501225597    
H         -1.593723135         1.411587151         1.320178430    
H         -1.705154026        0.1676709643         2.151799107    
    18
Energy=    -45.5218245103075    
O         -2.108913788       -0.7121121807       -0.8921749257    
H         -2.928407688       -0.7755474095        -1.380764627    
H         -2.319896386       -0.2496193527       -0.6094784040E-01
O         0.2356565910         2.068323525        0.9050800947    
H         0.3723493451         1.586547441        0.5319062592E-01
H         0.5731299238         2.954025945        0.7858852935    
O         0.4451755373        0.4816740674        -1.200262487    
H         0.7830330986       -0.3369992945       -0.7998689233    
H        -0.4664627796        0.2280616255        -1.396806223    
O         0.4476545798       -0.1363024173         2.581723842    
H          1.097954824       -0.2064983846         3.279872569    
H         0.5924555590        0.7265843139         2.160727554    
O         0.5308908681        -1.885105725        0.2889386691    
H        -0.3883551795        -1.997987441        0.3239114390E-01
H         0.4956802079        -1.449503853         1.151012586    
O         -2.195052403        0.6746724005         1.499776681    
H         -1.592249226         1.408285804         1.318686639    
H         -1.704295084        0.1645139356         2.151629327    
    18
Energy=    -45.6180005936033    
O         -2.091179301       -0.7372136561       -0.8609836849    
H         -2.911582815       -0.7934695744        -1.348889022    
H         -2.296538670       -0.2508362044       -0.4113460237E-01
O         0.2279474779         2.053062776        0.9020515152    
H         0.3776649176         1.574798831        0.5056896022E-01
H         0.5631706891         2.941451390        0.7889532031    
O         0.4623609154        0.4914561284        -1.210742006    
H         0.7966896655       -0.3268276077       -0.8071646167    
H        -0.4498470144        0.2392093701        -1.408702325    
O         0.4322544591       -0.1268300931         2.585016293    
H          1.083211330       -0.2109242239         3.282597777    
H         0.5993480670        0.7272925230         2.153729132    
O         0.5052006241        -1.886984390        0.2786673146    
H        -0.4161294448        -1.942879054        0.1325341114E-01
H         0.4840746469        -1.445123576         1.137529823    
O         -2.197051135        0.6724757789         1.497673763    
H         -1.584707724         1.396088933         1.303434141    
H         -1.714538689        0.1682656490         2.162230925    
    18
Energy=    -45.6378500980957    
O         -2.081642344       -0.7472398267       -0.8439862187    
H         -2.901373400       -0.8046462613        -1.333650712    
H         -2.285157133       -0.2506191492       -0.2837065968E-01
O         0.2251605835         2.050029448        0.9005128374    
H         0.3797870035         1.571906414        0.4985551349E-01
H         0.5590893920         2.937771216        0.7897781543    
O         0.4702256367        0.4939563668        -1.216069014    
H         0.8038413792       -0.3243454720       -0.8120790081    
H        -0.4416548171        0.2417697149        -1.414002287    
O         0.4264328221       -0.1281285876         2.583081762    
H          1.076739851       -0.2152853482         3.279402046    
H         0.5955866100        0.7258820129         2.153313632    
O         0.4951490912        -1.884528352        0.2741418421    
H        -0.4256355101        -1.919446833        0.8767193200E-03
H         0.4735828350        -1.443360016         1.133435007    
O         -2.198126819        0.6743636884         1.497733234    
H         -1.581460350         1.391402864         1.296444481    
H         -1.720196830        0.1735311212         2.167672670    
    18
Energy=    -45.7116200142821    
O         -2.064573847       -0.7387526468       -0.8357429884    
H         -2.898806938       -0.8444469535        -1.292920343    
H         -2.263516010       -0.2565356966       -0.9820567692E-02
O         0.2310550851         2.060543766        0.9022503992    
H         0.3839246067         1.582681466        0.5169243624E-01
H         0.5686392459         2.947313491        0.7877300096    
O         0.4845909276        0.5034475667        -1.230104446    
H         0.8080354757       -0.3176152955       -0.8227407983    
H        -0.4300457183        0.2624397164        -1.430588764    
O         0.4080742977       -0.1311971809         2.578744880    
H          1.071101768       -0.2252953205         3.262001500    
H         0.5866104748        0.7176613842         2.141941897    
O         0.4834203867        -1.881955212        0.2841621317    
H        -0.4296672373        -1.915241647       -0.2226952270E-01
H         0.4371073003        -1.452362787         1.149315609    
O         -2.198987931        0.6719913682         1.496213579    
H         -1.577011671         1.383904219         1.293110379    
H         -1.729602217        0.1764327627         2.175114609    
    18
Energy=    -45.7299227474151    
O         -2.065562444       -0.7303006014       -0.8378102577    
H         -2.902806510       -0.8464134431        -1.285515553    
H         -2.265213935       -0.2548661776       -0.8360807318E-02
O         0.2327337564         2.059081101        0.9012849428    
H         0.3839432223         1.580944876        0.5065397143E-01
H         0.5771970814         2.943708831        0.7869199853    
O         0.4824018259        0.5030517095        -1.234320204    
H         0.8054997415       -0.3199805466       -0.8309073297    
H        -0.4322834813        0.2647377792        -1.436354018    
O         0.4041003242       -0.1303965192         2.583099546    
H          1.060604583       -0.2214452147         3.271762009    
H         0.5868103837        0.7159185017         2.142882791    
O         0.4917262177        -1.879650303        0.2817031636    
H        -0.4223255618        -1.918952266       -0.2217601752E-01
H         0.4447167198        -1.453401201         1.148642363    
O         -2.201653217        0.6731061911         1.497368467    
H         -1.577525748         1.383689798         1.295333229    
H         -1.732014959        0.1741804843         2.173883719    
    18
Energy=    -45.8126384561120    
O         -2.048040026       -0.7224842741       -0.8178644314    
H         -2.889942592       -0.8998563167        -1.235494082    
H         -2.251862929       -0.2504736159        0.1296023060E-01
O         0.2394650926         2.039907558        0.8850496992    
H         0.3926767808         1.573067776        0.2926386047E-01
H         0.5952677821         2.922216362        0.7876786581    
O         0.4938268416        0.5050197890        -1.265269204    
H         0.8083027126       -0.3246225722       -0.8676085828    
H        -0.4212565404        0.2766291748        -1.472504506    
O         0.3769252338       -0.1332125887         2.608828599    
H          1.008292936       -0.2100361033         3.324435216    
H         0.5777800623        0.7004823727         2.154290637    
O         0.4867512111        -1.855473687        0.2442861474    
H        -0.4356983076        -1.864759918       -0.3669369210E-01
H         0.4634891873        -1.454276718         1.122769901    
O         -2.205874150        0.6801832488         1.507116947    
H         -1.574646619         1.386776419         1.311933247    
H         -1.745108677        0.1739260929         2.184911355    
    18
Energy=    -45.8341856816548    
O         -2.044288006       -0.7236686452       -0.8118766806    
H         -2.887873792       -0.9227860988        -1.219409831    
H         -2.247333925       -0.2452083401        0.1569333182E-01
O         0.2433783652         2.036231793        0.8814270407    
H         0.3972011801         1.574175746        0.2265876184E-01
H         0.6008133531         2.918118639        0.7896914128    
O         0.4989488111        0.5072838250        -1.275591412    
H         0.8074913083       -0.3218968777       -0.8719685364    
H        -0.4175325952        0.2822072654        -1.482320010    
O         0.3696083395       -0.1389223597         2.610939653    
H         0.9948214944       -0.2085442173         3.333660983    
H         0.5689920532        0.6951390390         2.156217141    
O         0.4881580360        -1.852964762        0.2354989795    
H        -0.4340396290        -1.860405074       -0.4305305658E-01
H         0.4665211257        -1.456145062         1.114946196    
O         -2.208199188        0.6881168157         1.512700124    
H         -1.575363714         1.393292753         1.318589562    
H         -1.750955218        0.1789885612         2.190286340    
    18
Energy=    -45.8677576449546    
O         -2.047681207       -0.7317361230       -0.8189169012    
H         -2.893983119       -0.9538301175        -1.205292893    
H         -2.245866648       -0.2388673522        0.1925774294E-03
O         0.2530052605         2.035506278        0.8831323882    
H         0.4059649065         1.577244218        0.2235248138E-01
H         0.6120408090         2.917301506        0.7952472695    
O         0.5022047158        0.5163433347        -1.282733132    
H         0.7971273763       -0.3132994007       -0.8698792186    
H        -0.4124103508        0.2998432639        -1.504549100    
O         0.3755352501       -0.1439357197         2.610746714    
H         0.9904917559       -0.1991475741         3.342031042    
H         0.5618013189        0.6965581757         2.161678221    
O         0.4818909280        -1.854308442        0.2360234011    
H        -0.4404735926        -1.865637542       -0.4510417778E-01
H         0.4627351825        -1.459378992         1.117345681    
O         -2.208366127        0.6886815831         1.518100524    
H         -1.576031191         1.394439922         1.325602582    
H         -1.747637268        0.1772359829         2.192112541    
    18
Energy=    -45.8923778476592    
O         -2.053242092       -0.7485244103       -0.8151813421    
H         -2.898141475        -1.010112106        -1.178900370    
H         -2.252917938       -0.2444364357       -0.3639555207E-02
O         0.2632749385         2.029878054        0.8950747549    
H         0.4091289844         1.576171831        0.3129217049E-01
H         0.6294600836         2.908589335        0.8117109120    
O         0.5082384533        0.5273346639        -1.286698594    
H         0.7829979244       -0.3094473518       -0.8724636972    
H        -0.4007581331        0.3237218360        -1.540430444    
O         0.3702353289       -0.1479994359         2.607506663    
H         0.9654180320       -0.1905478382         3.355464038    
H         0.5635573988        0.6876518840         2.152392906    
O         0.4789765540        -1.838730167        0.2220639869    
H        -0.4482894289        -1.844631033       -0.4368741077E-01
H         0.4692035672        -1.470602391         1.114122776    
O         -2.202663773        0.6991141856         1.514580478    
H         -1.572112400         1.407132449         1.326040114    
H         -1.742018026        0.1884499287         2.188842613    
    18
Energy=    -45.9013975205742    
O         -2.055761573       -0.7541839956       -0.8131125074    
H         -2.896269822        -1.017514210        -1.186174638    
H         -2.262348994       -0.2485220559       -0.4063955940E-02
O         0.2656694816         2.031751561        0.9014393267    
H         0.4047493280         1.575592025        0.3770934069E-01
H         0.6318205914         2.910106799        0.8121363973    
O         0.5054513590        0.5275504574        -1.283759166    
H         0.7797274322       -0.3084108961       -0.8681612697    
H        -0.4020608092        0.3224784301        -1.539158267    
O         0.3756165236       -0.1508338093         2.605497628    
H         0.9682822250       -0.1942452792         3.356075948    
H         0.5680222150        0.6879461419         2.155171145    
O         0.4774699503        -1.839039214        0.2233210034    
H        -0.4484107041        -1.841663480       -0.4484014856E-01
H         0.4701398245        -1.466167815         1.113516870    
O         -2.202342541        0.7038619465         1.511413737    
H         -1.573826306         1.413175599         1.321014254    
H         -1.735580181        0.1911307956         2.180064300    
    18
Energy=    -45.9035662966267    
O         -2.056646195       -0.7546401380       -0.8142678073    
H         -2.896405183        -1.014010625        -1.191491073    
H         -2.264810921       -0.2503618415       -0.4916587557E-02
O         0.2648397593         2.033547430        0.9025126116    
H         0.4036757933         1.575782193        0.3957243054E-01
H         0.6323790122         2.911435589        0.8119889325    
O         0.5032210330        0.5270693274        -1.281019501    
H         0.7781100237       -0.3091121593       -0.8660364250    
H        -0.4039550230        0.3209852633        -1.537415716    
O         0.3792528538       -0.1501390033         2.606066151    
H         0.9728270333       -0.1953044238         3.355727896    
H         0.5704888126        0.6901661210         2.158026823    
O         0.4760141818        -1.840616770        0.2258304241    
H        -0.4494626252        -1.841801053       -0.4394335304E-01
H         0.4690983560        -1.462747887         1.114188051    
O         -2.202072690        0.7021010929         1.509731297    
H         -1.574227330         1.411725488         1.317424176    
H         -1.731978892        0.1889343963         2.176111670    
    18
Energy=    -45.9133086730410    
O         -2.059502448       -0.7620725887       -0.8134924513    
H         -2.899873424        -1.032514902        -1.183614580    
H         -2.268463833       -0.2534231927       -0.7184753518E-02
O         0.2665716009         2.037256191        0.9037205044    
H         0.4077393726         1.580193293        0.4087447001E-01
H         0.6472562432         2.910358918        0.8184125581    
O         0.4987581759        0.5306672683        -1.276570502    
H         0.7689800307       -0.3086555525       -0.8638681041    
H        -0.4064171052        0.3291004915        -1.541557408    
O         0.3799639375       -0.1512818911         2.607744232    
H         0.9688356745       -0.2005494781         3.360358649    
H         0.5741973715        0.6904956766         2.164270490    
O         0.4760896068        -1.838798965        0.2244180727    
H        -0.4496345742        -1.837391284       -0.4523931638E-01
H         0.4701837525        -1.458795581         1.112470373    
O         -2.202016400        0.7028578953         1.503594694    
H         -1.577583504         1.414965608         1.307579032    
H         -1.724736476        0.1906010934         2.166174040    
    18
Energy=    -45.9242193003586    
O         -2.063808671       -0.7769381861       -0.8118054709    
H         -2.904609496        -1.063764510        -1.167347276    
H         -2.269957952       -0.2592913409       -0.1051581435E-01
O         0.2737537839         2.043772007        0.9064579533    
H         0.4130851489         1.588846584        0.4245040538E-01
H         0.6677190162         2.911448689        0.8285449446    
O         0.4956342587        0.5357711683        -1.270973171    
H         0.7581945868       -0.3058208700       -0.8579461509    
H        -0.4095734628        0.3422926411        -1.540132816    
O         0.3763167955       -0.1540920515         2.606030569    
H         0.9613872750       -0.2124141494         3.360529992    
H         0.5776725345        0.6883397748         2.167204729    
O         0.4766586832        -1.833560835        0.2200825627    
H        -0.4497520126        -1.832776745       -0.4739195641E-01
H         0.4707214492        -1.458751165         1.110075220    
O         -2.200817069        0.7062705719         1.492275948    
H         -1.584342552         1.424656094         1.296071844    
H         -1.717934317        0.1990253232         2.154478487    
    18
Energy=    -45.9287185085596    
O         -2.064674998       -0.7842544445       -0.8101262445    
H         -2.905535194        -1.078427050        -1.157416296    
H         -2.267916126       -0.2630081645       -0.1038985865E-01
O         0.2810120047         2.047972857        0.9094047434    
H         0.4157939482         1.593359306        0.4448423652E-01
H         0.6775149467         2.914161834        0.8308981450    
O         0.4939888671        0.5385214460        -1.270126692    
H         0.7558556375       -0.3022728364       -0.8552298604    
H        -0.4129556311        0.3462325351        -1.535415060    
O         0.3703475888       -0.1565098920         2.603033357    
H         0.9559259670       -0.2204125463         3.357223747    
H         0.5768898104        0.6854547945         2.165546168    
O         0.4782820682        -1.831290463        0.2177403358    
H        -0.4480893549        -1.833765741       -0.5002724500E-01
H         0.4704042253        -1.460298669         1.108837050    
O         -2.200793748        0.7100497609         1.486894545    
H         -1.588350294         1.431817816         1.292454792    
H         -1.717351718        0.2056824565         2.150304139    
    18
Energy=    -45.9336561671905    
O         -2.062900420       -0.7879387589       -0.8054728391    
H         -2.904064510        -1.088973335        -1.145901868    
H         -2.264325943       -0.2652969057       -0.6119356329E-02
O         0.2920236206         2.048987744        0.9134147230    
H         0.4188956669         1.593694435        0.4774627303E-01
H         0.6906986579         2.914198264        0.8302544470    
O         0.4869611954        0.5422606158        -1.273385163    
H         0.7559380296       -0.2979488504       -0.8609801417    
H        -0.4200549349        0.3435241879        -1.535521892    
O         0.3602519690       -0.1584265387         2.601805228    
H         0.9419464144       -0.2256602449         3.359269331    
H         0.5716392482        0.6843528037         2.167900523    
O         0.4834975311        -1.829301414        0.2134652577    
H        -0.4429950604        -1.836252506       -0.5516335010E-01
H         0.4729903529        -1.458068540         1.104733515    
O         -2.202244840        0.7154325331         1.484680220    
H         -1.590561402         1.437774384         1.290193216    
H         -1.717347576        0.2106551261         2.147171875    
    18
Energy=    -45.9352382032501    
O         -2.062781489       -0.7899586726       -0.8044531240    
H         -2.904346821        -1.090824049        -1.144040164    
H         -2.263545709       -0.2661144380       -0.5685747289E-02
O         0.2948206034         2.049013012        0.9150421787    
H         0.4197696184         1.594121392        0.4896593007E-01
H         0.6954893302         2.913313291        0.8321457224    
O         0.4830326229        0.5431442280        -1.272928701    
H         0.7546871806       -0.2969825700       -0.8622796019    
H        -0.4231008951        0.3421059986        -1.535939384    
O         0.3577624531       -0.1577392484         2.601685408    
H         0.9377973478       -0.2264344083         3.359991791    
H         0.5701318112        0.6857394062         2.169608825    
O         0.4851035007        -1.829427528        0.2120560149    
H        -0.4417173075        -1.837806576       -0.5558179934E-01
H         0.4748856610        -1.456109305         1.102551425    
O         -2.201737745        0.7163383925         1.483503768    
H         -1.590361270         1.438819244         1.288037630    
H         -1.715540892        0.2118148317         2.145409828    
    18
Energy=    -45.9363239018981    
O         -2.063251049       -0.7924947917       -0.8046647125    
H         -2.905492568        -1.093321640        -1.143284773    
H         -2.263147168       -0.2671507387       -0.6695726551E-02
O         0.2967016209         2.049278472        0.9165879761    
H         0.4202664085         1.595184606        0.4997630821E-01
H         0.6996041657         2.912584842        0.8352897963    
O         0.4800353777        0.5439815633        -1.271962887    
H         0.7523130168       -0.2963055325       -0.8622899360    
H        -0.4252598749        0.3421735831        -1.536275627    
O         0.3564104328       -0.1565745489         2.601605820    
H         0.9352880571       -0.2264065486         3.360392038    
H         0.5695168873        0.6872130272         2.170448399    
O         0.4855019874        -1.829461506        0.2111567288    
H        -0.4417178098        -1.839136734       -0.5485522442E-01
H         0.4762229815        -1.454794190         1.101044547    
O         -2.200111327        0.7162013223         1.481886106    
H         -1.589750251         1.439444148         1.286032355    
H         -1.712782888        0.2125976655         2.143698812    
    18
Energy=    -45.9376033115342    
O         -2.064213507       -0.7960868326       -0.8068455305    
H         -2.907464520        -1.091057407        -1.148505732    
H         -2.263010400       -0.2686829593       -0.9946881263E-02
O         0.2966708200         2.050837929        0.9181912408    
H         0.4193032870         1.597211413        0.5121473821E-01
H         0.7015755033         2.913146178        0.8386869039    
O         0.4768092173        0.5440133748        -1.268943035    
H         0.7503786194       -0.2960529676       -0.8604159589    
H        -0.4290152265        0.3417673465        -1.530891002    
O         0.3569468997       -0.1548135411         2.600440047    
H         0.9366995448       -0.2253609721         3.358503844    
H         0.5700560435        0.6887511718         2.168821493    
O         0.4850567541        -1.830597493        0.2123363916    
H        -0.4423097057        -1.843055465       -0.5239042861E-01
H         0.4762053028        -1.454378335         1.101378750    
O         -2.196413442        0.7146228631         1.479624965    
H         -1.588434930         1.439811243         1.284674508    
H         -1.708492260        0.2129374542         2.142155688    
    18
Energy=    -45.9388256891195    
O         -2.063826617       -0.7979249762       -0.8057433324    
H         -2.907614928        -1.087050639        -1.151373792    
H         -2.262426291       -0.2701006960       -0.9090702195E-02
O         0.2972169962         2.050864924        0.9181724314    
H         0.4187551952         1.595897536        0.5160764864E-01
H         0.7060558496         2.911429607        0.8379079999    
O         0.4727517019        0.5449133925        -1.269655959    
H         0.7515548148       -0.2950619803       -0.8641642746    
H        -0.4350421699        0.3405659215        -1.524064617    
O         0.3566896156       -0.1557784712         2.599594440    
H         0.9315424081       -0.2220227911         3.362024379    
H         0.5691833490        0.6879071497         2.167809387    
O         0.4883319412        -1.830784973        0.2122794906    
H        -0.4387079099        -1.845984905       -0.5395459875E-01
H         0.4767636877        -1.454569387         1.101437553    
O         -2.195566190        0.7158759803         1.478918932    
H         -1.587742777         1.441718807         1.285600929    
H         -1.707570677        0.2131185008         2.140784086    
    18
Energy=    -45.9398026650671    
O         -2.063343811       -0.7992467684       -0.8037651294    
H         -2.906404705        -1.089493019        -1.149811063    
H         -2.262845061       -0.2721128093       -0.6842657755E-02
O         0.2989126998         2.053451402        0.9184022972    
H         0.4189582846         1.598858791        0.5153836267E-01
H         0.7136919681         2.911290785        0.8399548822    
O         0.4709826809        0.5462131403        -1.268747754    
H         0.7501908130       -0.2937144518       -0.8636505449    
H        -0.4366760344        0.3416391364        -1.523153249    
O         0.3562862486       -0.1553764268         2.597671103    
H         0.9220502000       -0.2149378361         3.367190089    
H         0.5690221334        0.6878532275         2.164996163    
O         0.4886422058        -1.833673100        0.2082959728    
H        -0.4386213216        -1.847187398       -0.5703648037E-01
H         0.4784190616        -1.461373217         1.098979091    
O         -2.195447102        0.7143043922         1.480309708    
H         -1.592435254         1.443555259         1.285147196    
H         -1.701035007        0.2129618923         2.138612015    
