    18
Energy=    -45.5414777297534    
O          1.654316899        0.8291378839        -1.262745740    
H          2.152084403        0.9248478187        -2.073171513    
H         0.7380705942        0.6268829828        -1.524288094    
O        -0.2682003356        -2.542210525       -0.2002387189    
H         0.4084874881        -1.976016421        0.2400477133    
H         0.1836397909        -3.331408974       -0.4968422550    
O         -2.394464433        -2.104225097         1.519302565    
H         -2.401802601        -2.681732281         2.282646981    
H         -1.711566335        -2.461192754        0.9265584444    
O         -1.369178009        0.4262060833         1.404417858    
H         -1.791366628         1.123717798         1.904545337    
H         -1.858761128       -0.3930720351         1.601656841    
O          1.272047890       -0.7335270183         1.022760176    
H         0.5513602573       -0.1901719036         1.367302540    
H          1.647726941       -0.1952194249        0.3092029862    
O        -0.9812279103        0.2747994634E-01    -1.468166135    
H        -0.8902164040       -0.9238982798        -1.339290201    
H         -1.269720425        0.3396760266       -0.6006306077    
    18
Energy=    -45.5407963481318    
O          1.653811697        0.8318381530        -1.263376824    
H          2.153771046        0.9050248724        -2.074881806    
H         0.7369789539        0.6292358795        -1.522706000    
O        -0.2662971726        -2.541023191       -0.1999983254    
H         0.4092020493        -1.973274813        0.2402558863    
H         0.1869956800        -3.330292027       -0.4942807397    
O         -2.394673666        -2.105675786         1.516668262    
H         -2.403606185        -2.684326589         2.279190507    
H         -1.710094845        -2.461381825        0.9250075712    
O         -1.369190751        0.4248624736         1.405838593    
H         -1.791067839         1.121376806         1.907592579    
H         -1.858529421       -0.3948669334         1.601845070    
O          1.272665414       -0.7302346516         1.022133103    
H         0.5521204936       -0.1877107540         1.368206299    
H          1.646244878       -0.1913670990        0.3077470970    
O        -0.9828726078        0.3100381318E-01    -1.467270267    
H        -0.8924001275       -0.9205270991        -1.339217152    
H         -1.271827543        0.3426125965       -0.5996856764    
    18
Energy=    -45.5384607801692    
O          1.649482813        0.8345592585        -1.266451671    
H          2.150016466        0.8985545723        -2.078458135    
H         0.7322691128        0.6318659391        -1.524607629    
O        -0.2626441429        -2.536953408       -0.1988656514    
H         0.4146047425        -1.970829708        0.2411605754    
H         0.1861743770        -3.331196729       -0.4863370335    
O         -2.399164287        -2.104315282         1.511258986    
H         -2.408440527        -2.683324424         2.273595034    
H         -1.714082718        -2.459477412        0.9197590226    
O         -1.365442785        0.4219792057         1.408167742    
H         -1.784966897         1.119558202         1.910398691    
H         -1.858715829       -0.3960746826         1.601691680    
O          1.275983677       -0.7284369057         1.023570592    
H         0.5530862624       -0.1903254449         1.371734066    
H          1.644919473       -0.1869375830        0.3087505374    
O        -0.9843780209        0.3022987791E-01    -1.465705702    
H        -0.8889301438       -0.9212820196        -1.341616889    
H         -1.268541519        0.3376803700       -0.5949760365    
    18
Energy=    -45.5372148419134    
O          1.648240306        0.8347479542        -1.267876980    
H          2.148059954        0.8977976368        -2.080236144    
H         0.7308471928        0.6325159723        -1.525822676    
O        -0.2614859980        -2.537438659       -0.1980608901    
H         0.4161954041        -1.970602141        0.2409640733    
H         0.1881454134        -3.331859637       -0.4841670027    
O         -2.401527848        -2.103431760         1.509284891    
H         -2.413395528        -2.683771227         2.269950183    
H         -1.714381717        -2.457268693        0.9199361432    
O         -1.363993034        0.4223373656         1.410620229    
H         -1.785672814         1.118801224         1.912630372    
H         -1.857301369       -0.3961314623         1.601198177    
O          1.277376078       -0.7284567443         1.023500251    
H         0.5551444170       -0.1898989794         1.372271820    
H          1.646274789       -0.1864784649        0.3091696311    
O        -0.9857485094        0.2981792684E-01    -1.465355311    
H        -0.8875194073       -0.9218088308        -1.341239096    
H         -1.268027275        0.3364023431       -0.5936994932    
    18
Energy=    -45.5361950136893    
O          1.648637526        0.8355041087        -1.266927445    
H          2.150400410        0.8969125018        -2.078272488    
H         0.7315047632        0.6338335086        -1.526273856    
O        -0.2640227562        -2.536724602       -0.1996311112    
H         0.4134048888        -1.969792156        0.2392589081    
H         0.1862825649        -3.330722170       -0.4858421146    
O         -2.401208433        -2.104511281         1.512217195    
H         -2.405010773        -2.683428641         2.274976441    
H         -1.713730875        -2.454474711        0.9202607984    
O         -1.365734547        0.4210185335         1.407611308    
H         -1.785876430         1.118396159         1.909612856    
H         -1.859177160       -0.3971741575         1.600518519    
O          1.276078539       -0.7293571891         1.024660101    
H         0.5528278386       -0.1919530429         1.373430822    
H          1.645050764       -0.1874340785        0.3102025167    
O        -0.9851873263        0.3041802248E-01    -1.465925526    
H        -0.8867565984       -0.9213103654        -1.343159749    
H         -1.266252341        0.3360733850       -0.5936489967    
    18
Energy=    -45.5342181066740    
O          1.646972846        0.8361561467        -1.270015336    
H          2.147930207        0.8962722857        -2.082096972    
H         0.7293634116        0.6343834152        -1.527607420    
O        -0.2625393140        -2.536539935       -0.1961741210    
H         0.4139191375        -1.968346353        0.2413972404    
H         0.1887364160        -3.329905248       -0.4819008052    
O         -2.403741017        -2.101942907         1.506067931    
H         -2.412746861        -2.683037647         2.266340659    
H         -1.712342545        -2.450718830        0.9181979442    
O         -1.363381180        0.4188236713         1.410943931    
H         -1.782408314         1.116952281         1.912698006    
H         -1.859977824       -0.3974555572         1.602156129    
O          1.278909997       -0.7276790645         1.024289142    
H         0.5557383035       -0.1924549857         1.375977266    
H          1.644984725       -0.1858024667        0.3082175709    
O        -0.9849751418        0.2764393633E-01    -1.463256235    
H        -0.8866882128       -0.9238249098        -1.341187690    
H         -1.266524578        0.3327499936       -0.5909790623    
    18
Energy=    -45.5162318535943    
O          1.642845785        0.8385625388        -1.283771927    
H          2.137866882        0.8952403530        -2.099674494    
H         0.7245908950        0.6285738927        -1.531806182    
O        -0.2531839852        -2.533778430       -0.1809057032    
H         0.4209587872        -1.963290873        0.2575678925    
H         0.1983414710        -3.327821882       -0.4635040588    
O         -2.416062486        -2.095528556         1.477200689    
H         -2.451608252        -2.686937889         2.228889537    
H         -1.716447376        -2.446284905        0.8996312100    
O         -1.353030117        0.4096451766         1.427005390    
H         -1.772810718         1.117181478         1.914601205    
H         -1.864394478       -0.3998953838         1.611559719    
O          1.294211077       -0.7188120947         1.015807775    
H         0.5764476743       -0.1859108406         1.381834567    
H          1.646681298       -0.1759352252        0.2933919261    
O        -0.9883325765        0.1897455906E-01    -1.443101793    
H        -0.8934416598       -0.9326697855        -1.323879794    
H         -1.261402166        0.3239616913       -0.5677777812    
    18
Energy=    -45.5132732921071    
O          1.641920041        0.8388835601        -1.286201094    
H          2.135276063        0.8951761880        -2.103137551    
H         0.7235335493        0.6272036762        -1.532484712    
O        -0.2507454572        -2.533933157       -0.1787069048    
H         0.4232699513        -1.963029726        0.2602400507    
H         0.2008080194        -3.328534885       -0.4599893619    
O         -2.418457352        -2.094066174         1.472266006    
H         -2.460855759        -2.687603320         2.222022832    
H         -1.717866399        -2.446019579        0.8966839550    
O         -1.350811643        0.4091245266         1.431794985    
H         -1.773210908         1.117325031         1.916037776    
H         -1.863647506       -0.4002475178         1.612625411    
O          1.297288863       -0.7175798387         1.014154144    
H         0.5814443899       -0.1837010535         1.382242748    
H          1.648132362       -0.1743360045        0.2912314927    
O        -0.9898458918        0.1787852384E-01    -1.440280623    
H        -0.8939367773       -0.9340405807        -1.321120662    
H         -1.261065490        0.3227741558       -0.5643103162    
    18
Energy=    -45.5050144885720    
O          1.640020326        0.8397813294        -1.289407586    
H          2.131421327        0.8948657760        -2.107812528    
H         0.7219306102        0.6242376910        -1.534204553    
O        -0.2481388522        -2.534948263       -0.1757939856    
H         0.4277778926        -1.962006974        0.2630280406    
H         0.2054112257        -3.330400288       -0.4539269255    
O         -2.423963762        -2.091944234         1.464289250    
H         -2.474470116        -2.688914302         2.211165990    
H         -1.722157989        -2.445262131        0.8911488456    
O         -1.346599327        0.4090012298         1.440896882    
H         -1.776200807         1.117373977         1.918696741    
H         -1.860717881       -0.4001078503         1.614629251    
O          1.303553257       -0.7152327002         1.012454590    
H         0.5900862240       -0.1790505399         1.382482113    
H          1.650900934       -0.1720839477        0.2871394708    
O        -0.9929531632        0.1601769234E-01    -1.436400942    
H        -0.8942465394       -0.9364093786        -1.316330579    
H         -1.260423305        0.3203567386       -0.5589858962    
    18
Energy=    -45.4996569959881    
O          1.638798412        0.8393767037        -1.293087455    
H          2.127561093        0.8944087180        -2.112746882    
H         0.7205813489        0.6223744977        -1.535676081    
O        -0.2436149047        -2.535927359       -0.1705198199    
H         0.4309526612        -1.961598969        0.2627424659    
H         0.2091863668        -3.331440750       -0.4474066333    
O         -2.431889661        -2.091974340         1.455213984    
H         -2.487864935        -2.691380612         2.200083600    
H         -1.727686470        -2.446144371        0.8857846845    
O         -1.343769744        0.4103760941         1.447072777    
H         -1.781409755         1.117836397         1.918662373    
H         -1.856363053       -0.4004465577         1.618692412    
O          1.311499718       -0.7111684599         1.010751974    
H         0.6000844180       -0.1745341900         1.382198470    
H          1.653862857       -0.1706847712        0.2821377652    
O        -0.9967558624        0.1458170417E-01    -1.430344238    
H        -0.8953396968       -0.9374901416        -1.309458522    
H         -1.256602737        0.3191102314       -0.5510326977    
    18
Energy=    -45.4887316723180    
O          1.637690291        0.8391474178        -1.293056120    
H          2.127936327        0.8945177368        -2.111917640    
H         0.7203400929        0.6204484710        -1.536923852    
O        -0.2436546539        -2.536343546       -0.1667859440    
H         0.4322185621        -1.959603406        0.2600608915    
H         0.2102885687        -3.330722962       -0.4446749309    
O         -2.436029288        -2.093169058         1.450696049    
H         -2.489372906        -2.693292740         2.194645176    
H         -1.731578063        -2.447479479        0.8817366708    
O         -1.341811767        0.4109669869         1.446880299    
H         -1.779307979         1.118641555         1.919441472    
H         -1.854246595       -0.3987818994         1.622873610    
O          1.315218088       -0.7067500181         1.012002250    
H         0.6002957398       -0.1728971804         1.381216093    
H          1.652974515       -0.1703877816        0.2781568142    
O        -0.9975313996        0.1184668007E-01    -1.427994840    
H        -0.8972383998       -0.9391396804        -1.304506084    
H         -1.254961078        0.3182727288       -0.5487817350    
    18
Energy=    -45.4794752340096    
O          1.637084315        0.8350157988        -1.299079131    
H          2.122867963        0.8941936328        -2.120320470    
H         0.7166506467        0.6235967996        -1.535964660    
O        -0.2396952671        -2.538529528       -0.1609099401    
H         0.4375615018        -1.959215672        0.2616056499    
H         0.2136495982        -3.333233788       -0.4400185001    
O         -2.443520731        -2.094738426         1.442694010    
H         -2.506933722        -2.696048260         2.185278146    
H         -1.733211404        -2.449023105        0.8810635952    
O         -1.338805021        0.4137720476         1.453280811    
H         -1.789757049         1.118290720         1.916933492    
H         -1.849307339       -0.3986338048         1.622911549    
O          1.322450586       -0.7052131372         1.008677059    
H         0.6106677679       -0.1703627208         1.382991392    
H          1.659085774       -0.1684623277        0.2735487185    
O        -0.9958172952        0.1351548914E-01    -1.419429893    
H        -0.8996473824       -0.9379222794        -1.301235996    
H         -1.252092887        0.3182723861       -0.5389576556    
    18
Energy=    -45.4735529827834    
O          1.634682984        0.8332676309        -1.304536214    
H          2.116815012        0.8944244261        -2.127840988    
H         0.7124284518        0.6239813349        -1.536883398    
O        -0.2336329513        -2.540746509       -0.1563842610    
H         0.4425621196        -1.960025061        0.2649590153    
H         0.2194474220        -3.335643231       -0.4345882181    
O         -2.447809190        -2.092521905         1.435717198    
H         -2.528810969        -2.698184907         2.171837048    
H         -1.733070264        -2.449037258        0.8806178972    
O         -1.335133797        0.4150536463         1.459558660    
H         -1.790892097         1.117564674         1.921252795    
H         -1.845903668       -0.3981554263         1.623083371    
O          1.327441991       -0.7032140252         1.006607516    
H         0.6179377529       -0.1674288463         1.383038409    
H          1.664148221       -0.1664157259        0.2716352855    
O        -0.9964650051        0.1308247948E-01    -1.414302804    
H        -0.9003423440       -0.9388127638        -1.297132560    
H         -1.252173616        0.3180852922       -0.5335705741    
    18
Energy=    -45.4583765762455    
O          1.627199357        0.8326176217        -1.312931631    
H          2.104346101        0.8951494889        -2.138904851    
H         0.7040340133        0.6208726701        -1.542170690    
O        -0.2209282556        -2.544707844       -0.1501954011    
H         0.4528463948        -1.962262843        0.2732992003    
H         0.2348329636        -3.340539245       -0.4217237937    
O         -2.455343134        -2.083915917         1.419851977    
H         -2.573784771        -2.701930270         2.141126867    
H         -1.734117943        -2.445231981        0.8775305655    
O         -1.326099859        0.4169582277         1.474331263    
H         -1.782450567         1.116533795         1.940051178    
H         -1.838610074       -0.3971679094         1.626287491    
O          1.334437242       -0.6985768008         1.002554949    
H         0.6290753123       -0.1592731715         1.381354356    
H          1.673714602       -0.1609088605        0.2702708913    
O         -1.003930630        0.6134859672E-02    -1.410007908    
H        -0.8991647957       -0.9450978594        -1.287506873    
H         -1.254825902        0.3166198631       -0.5301494135    
    18
Energy=    -45.4459186661427    
O          1.617540282        0.8334288109        -1.320080381    
H          2.091911344        0.8973880249        -2.146503505    
H         0.6969680530        0.6153439337        -1.548279118    
O        -0.2093429162        -2.548260658       -0.1413991315    
H         0.4629362903        -1.963454837        0.2811180124    
H         0.2510543891        -3.342533874       -0.4093251314    
O         -2.457165186        -2.072428473         1.404495198    
H         -2.619176403        -2.704797668         2.103777127    
H         -1.730690416        -2.443468755        0.8759930620    
O         -1.316415769        0.4169395506         1.481759963    
H         -1.754361642         1.115600347         1.967472203    
H         -1.835194949       -0.3936328077         1.632147346    
O          1.338505658       -0.6909611115         1.003280484    
H         0.6287229778       -0.1537027091         1.377461161    
H          1.677000331       -0.1556477247        0.2694671575    
O         -1.010010749       -0.5279480847E-02    -1.409482964    
H        -0.8984996730       -0.9540783644        -1.275194809    
H         -1.262551567        0.3148196214       -0.5336384957    
    18
Energy=    -45.4408749720459    
O          1.616977061        0.8339218261        -1.320272662    
H          2.091742128        0.8971181584        -2.146436581    
H         0.6969119347        0.6147677980        -1.549489546    
O        -0.2090595611        -2.548541780       -0.1425533771    
H         0.4629983436        -1.964362664        0.2809756314    
H         0.2520513606        -3.342932834       -0.4088316537    
O         -2.457809363        -2.071460363         1.404767209    
H         -2.619939109        -2.706014931         2.104648287    
H         -1.731841715        -2.443303110        0.8751858877    
O         -1.316723661        0.4164565102         1.481596833    
H         -1.755618253         1.115687436         1.966345948    
H         -1.835295941       -0.3943656134         1.632317606    
O          1.338937038       -0.6908316577         1.003391494    
H         0.6296593138       -0.1524003857         1.377141660    
H          1.678623086       -0.1560547873        0.2696565748    
O         -1.010631376       -0.4812638428E-02    -1.408845218    
H        -0.8983725092       -0.9533177289        -1.274063177    
H         -1.261378724        0.3157205902       -0.5324667368    
    18
Energy=    -45.4345768688896    
O          1.615510691        0.8345907316        -1.324374035    
H          2.086573573        0.8978586798        -2.154256001    
H         0.6931788630        0.6134085939        -1.550713465    
O        -0.2042291694        -2.550472554       -0.1389792999    
H         0.4666769493        -1.965663933        0.2841248382    
H         0.2576585243        -3.344755940       -0.4050373769    
O         -2.456943641        -2.068886495         1.400827846    
H         -2.640065792        -2.706607480         2.091400802    
H         -1.729937693        -2.444368399        0.8774697846    
O         -1.315223684        0.4155425134         1.481395540    
H         -1.751149550         1.114393387         1.970804881    
H         -1.835794516       -0.3942482426         1.633148168    
O          1.342979540       -0.6892614351         1.004647169    
H         0.6322369080       -0.1505362027         1.376645494    
H          1.681546138       -0.1557196558        0.2686133043    
O         -1.012031142       -0.4748242917E-02    -1.405110712    
H        -0.8978804241       -0.9522013112        -1.268795222    
H         -1.261875520        0.3169498104       -0.5287435374    
    18
Energy=    -45.4257223825725    
O          1.614820342        0.8352462093        -1.331929003    
H          2.080337583        0.8982114443        -2.164674279    
H         0.6916592056        0.6138633633        -1.549095811    
O        -0.2000170700        -2.552966353       -0.1358146765    
H         0.4699934248        -1.967276289        0.2872587470    
H         0.2615379047        -3.347403801       -0.4024181452    
O         -2.455554624        -2.066049103         1.398812304    
H         -2.660323038        -2.705885424         2.081296778    
H         -1.726073784        -2.447368882        0.8816457612    
O         -1.316375320        0.4143408615         1.481131328    
H         -1.754695311         1.111358958         1.969706823    
H         -1.837220585       -0.3951701755         1.632042716    
O          1.349095268       -0.6888073053         1.006274156    
H         0.6387892117       -0.1499854400         1.378051472    
H          1.685211805       -0.1575043456        0.2672503398    
O         -1.012341962       -0.4130750460E-03    -1.399444785    
H        -0.8963333196       -0.9474125974        -1.265214344    
H         -1.261279676        0.3184957807       -0.5218112009    
    18
Energy=    -45.4154519686970    
O          1.618225232        0.8366830873        -1.335729237    
H          2.078161151        0.8974284077        -2.171768894    
H         0.6929888132        0.6155631466        -1.545632499    
O        -0.2003060339        -2.553862893       -0.1370473996    
H         0.4694528055        -1.969000207        0.2875487197    
H         0.2596998033        -3.349278137       -0.4035782696    
O         -2.454089761        -2.066415635         1.401659735    
H         -2.662261541        -2.702684022         2.084863628    
H         -1.724667075        -2.449496406        0.8860557433    
O         -1.320490734        0.4135645596         1.482162730    
H         -1.770268741         1.108621352         1.960488461    
H         -1.838796101       -0.3979412093         1.628585188    
O          1.353618150       -0.6913288269         1.006594549    
H         0.6469235459       -0.1510694665         1.381810990    
H          1.687931754       -0.1612294025        0.2664847101    
O         -1.012787496        0.7112801208E-02    -1.396088571    
H        -0.8932975557       -0.9408279710        -1.267849809    
H         -1.258806163        0.3194346473       -0.5154915975    
    18
Energy=    -45.4118606954313    
O          1.619325143        0.8371154596        -1.336120064    
H          2.077889072        0.8971556393        -2.172978599    
H         0.6934531511        0.6160682556        -1.544751683    
O        -0.2007625545        -2.553925651       -0.1377050603    
H         0.4690603792        -1.969359803        0.2873970488    
H         0.2588923662        -3.349589005       -0.4039845584    
O         -2.453788682        -2.066439452         1.402346044    
H         -2.661189792        -2.701480748         2.086536264    
H         -1.724525015        -2.449725838        0.8869483574    
O         -1.321629983        0.4134967176         1.482969849    
H         -1.774493643         1.107994433         1.958416680    
H         -1.838924066       -0.3987515695         1.627893836    
O          1.354445099       -0.6920682312         1.006442300    
H         0.6489406695       -0.1514502147         1.382989062    
H          1.688365454       -0.1621664822        0.2664381247    
O         -1.013155309        0.8690455321E-02    -1.395972423    
H        -0.8922890512       -0.9396530732        -1.269125463    
H         -1.258383183        0.3193629323       -0.5146715380    
    18
Energy=    -45.3944304213983    
O          1.621463702        0.8310184149        -1.342970657    
H          2.065307167        0.8982131382        -2.186777244    
H         0.6903628523        0.6246112579        -1.542334118    
O        -0.1981936423        -2.556325228       -0.1254206235    
H         0.4764606693        -1.970406964        0.2904080358    
H         0.2621159355        -3.347874898       -0.4001202195    
O         -2.450963317        -2.063837898         1.392788599    
H         -2.688145125        -2.698690615         2.067044411    
H         -1.713843120        -2.457385752        0.8966390740    
O         -1.323811539        0.4130550312         1.480703269    
H         -1.769257232         1.108752787         1.962130417    
H         -1.838526551       -0.4006559981         1.629423476    
O          1.360393125       -0.6911858640         1.006559685    
H         0.6525701494       -0.1550636746         1.385678575    
H          1.687346073       -0.1608927016        0.2642143743    
O         -1.006109006        0.1078094349E-01    -1.388881227    
H        -0.8949143832       -0.9390545512        -1.266383590    
H         -1.261025703        0.3202163956       -0.5096340603    
    18
Energy=    -45.3901668249782    
O          1.620591563        0.8299643283        -1.343884697    
H          2.063943379        0.8986029094        -2.188024804    
H         0.6892049637        0.6251353248        -1.542998154    
O        -0.1970952288        -2.556703506       -0.1232385867    
H         0.4777137635        -1.970362161        0.2908725698    
H         0.2635032987        -3.347744100       -0.3992928366    
O         -2.450625945        -2.063596910         1.391449688    
H         -2.693591029        -2.699607162         2.062835542    
H         -1.712762016        -2.458360196        0.8970946243    
O         -1.323604208        0.4129422931         1.479073707    
H         -1.764965783         1.109093913         1.963645263    
H         -1.838585749       -0.4003089740         1.630143004    
O          1.360927359       -0.6904847254         1.007292123    
H         0.6514457312       -0.1548784443         1.384822183    
H          1.687279087       -0.1600895903        0.2637749357    
O         -1.004493193        0.1030209503E-01    -1.387274987    
H        -0.8962954318       -0.9394739082        -1.264329347    
H         -1.261360507        0.3208426386       -0.5088920492    
    18
Energy=    -45.3825563493466    
O          1.620135040        0.8290391422        -1.344511483    
H          2.063298835        0.8987378302        -2.189125205    
H         0.6885648114        0.6263172660        -1.542905550    
O        -0.1966233459        -2.556503049       -0.1217746102    
H         0.4779168167        -1.970350992        0.2906700521    
H         0.2639944896        -3.348213641       -0.3991992524    
O         -2.450214941        -2.063336928         1.390504102    
H         -2.696259853        -2.699477755         2.061750733    
H         -1.711759894        -2.458891596        0.8971199978    
O         -1.323954441        0.4125234149         1.478266610    
H         -1.764332789         1.109540400         1.963973740    
H         -1.838490987       -0.4007739576         1.630972110    
O          1.361388625       -0.6907752562         1.008262441    
H         0.6515145432       -0.1549038869         1.384958185    
H          1.687573029       -0.1595738359        0.2630202953    
O         -1.003100944        0.1034730616E-01    -1.386618611    
H        -0.8969689532       -0.9395019833        -1.263660938    
H         -1.261449988        0.3210713464       -0.5086344387    
    18
Energy=    -45.3790784365289    
O          1.615120607        0.8283842096        -1.346831742    
H          2.058516076        0.9012313236        -2.190927629    
H         0.6835318286        0.6225658718        -1.544731306    
O        -0.1901588125        -2.558195465       -0.1142936207    
H         0.4839075164        -1.967450646        0.2964149865    
H         0.2716965525        -3.347817613       -0.3931748440    
O         -2.450539661        -2.059698831         1.380673280    
H         -2.720547688        -2.700993950         2.037210144    
H         -1.707243990        -2.457558247        0.8963388907    
O         -1.316649230        0.4143334048         1.480038914    
H         -1.737131731         1.109361413         1.985246317    
H         -1.836311531       -0.3952451182         1.635282260    
O          1.360512593       -0.6846319996         1.007531748    
H         0.6451091846       -0.1545841438         1.380956259    
H          1.684350388       -0.1547699156        0.2634318031    
O         -1.006697859        0.1177506188E-03    -1.388830395    
H        -0.8981682021       -0.9479180959        -1.256475304    
H         -1.268065987        0.3181438762       -0.5147915836    
    18
Energy=    -45.3737182878845    
O          1.612352282        0.8282665720        -1.347889365    
H          2.056459273        0.9025023532        -2.191536225    
H         0.6812190609        0.6204432532        -1.545481904    
O        -0.1865983699        -2.558460941       -0.1105946502    
H         0.4863816811        -1.966068816        0.2992238521    
H         0.2756913626        -3.348023072       -0.3902349100    
O         -2.450855156        -2.057879549         1.375740022    
H         -2.732332543        -2.701469489         2.024994617    
H         -1.705094267        -2.456454660        0.8955999072    
O         -1.312988100        0.4152242784         1.481245101    
H         -1.723360727         1.109185057         1.996478576    
H         -1.834955049       -0.3923261877         1.637791327    
O          1.359720597       -0.6822369868         1.007586436    
H         0.6417457058       -0.1541905171         1.379056506    
H          1.682996593       -0.1518056039        0.2631133801    
O         -1.009439085       -0.5345733457E-02    -1.390672634    
H        -0.8983442633       -0.9526504288        -1.252989421    
H         -1.271368942        0.3165642970       -0.5183624376    
    18
Energy=    -45.3685103154901    
O          1.610961593        0.8284331197        -1.348629293    
H          2.054538484        0.9034758582        -2.192208446    
H         0.6799724576        0.6187433155        -1.545293035    
O        -0.1839405809        -2.558544439       -0.1078285112    
H         0.4883200592        -1.964975118        0.3018923975    
H         0.2784549029        -3.347907394       -0.3878505990    
O         -2.451354770        -2.056338008         1.371106449    
H         -2.741010303        -2.701268224         2.015534241    
H         -1.702925013        -2.455348095        0.8956721980    
O         -1.309917139        0.4161362929         1.483278321    
H         -1.713357269         1.108963975         2.005978300    
H         -1.833577350       -0.3898434766         1.639612182    
O          1.358802909       -0.6807757600         1.006725724    
H         0.6395559328       -0.1543338615         1.378186227    
H          1.681668743       -0.1493207400        0.2629195840    
O         -1.013338191       -0.9872233945E-02    -1.393218840    
H        -0.8975308902       -0.9567735304        -1.251137547    
H         -1.274093522        0.3148221448       -0.5216711730    
    18
Energy=    -45.3457838063712    
O          1.612485728        0.8281426181        -1.349477240    
H          2.050754690        0.9046952763        -2.195733849    
H         0.6813948850        0.6172120668        -1.542277667    
O        -0.1818772546        -2.557031844       -0.1035448987    
H         0.4916105819        -1.964692766        0.3074717821    
H         0.2806932885        -3.346626098       -0.3856808217    
O         -2.453646117        -2.057019329         1.364408771    
H         -2.750565966        -2.701643650         2.004322261    
H         -1.697585176        -2.455758716        0.9007024948    
O         -1.305887945        0.4187129863         1.485326241    
H         -1.703882140         1.108431807         2.014851699    
H         -1.832521211       -0.3854375588         1.638785179    
O          1.355678379       -0.6806555044         1.001951230    
H         0.6380822046       -0.1571469553         1.377881726    
H          1.679485878       -0.1454629209        0.2626207484    
O         -1.021852117       -0.1330915480E-01    -1.395788353    
H        -0.8955313453       -0.9592541744        -1.249754037    
H         -1.275606308        0.3121177410       -0.5229970896    
    18
Energy=    -45.3305808778832    
O          1.615820018        0.8272016585        -1.350099745    
H          2.050054229        0.9052752988        -2.199436905    
H         0.6848012814        0.6149474107        -1.540298972    
O        -0.1823009533        -2.556593638       -0.1001575457    
H         0.4933607519        -1.966032549        0.3098385414    
H         0.2792706462        -3.344043684       -0.3878057588    
O         -2.454986210        -2.063102410         1.366609574    
H         -2.752308432        -2.710694229         2.005499338    
H         -1.695116228        -2.460284900        0.9074692575    
O         -1.303112435        0.4184962383         1.480517909    
H         -1.703133232         1.112113637         2.005407492    
H         -1.836761831       -0.3821510470         1.627965442    
O          1.354549617       -0.6811614241        0.9999011039    
H         0.6341578117       -0.1598333648         1.374524856    
H          1.678607798       -0.1446064155        0.2609263782    
O         -1.021626662       -0.6478531524E-02    -1.387905983    
H        -0.8987500846       -0.9527475063        -1.247925681    
H         -1.271296033        0.3149692803       -0.5119611232    
    18
Energy=    -45.3191345375800    
O          1.612201762        0.8282293138        -1.350501905    
H          2.047903005        0.9065682928        -2.198529171    
H         0.6830813122        0.6102208521        -1.542755628    
O        -0.1784285992        -2.557083578       -0.9703502131E-01
H         0.4962722498        -1.965513069        0.3126312940    
H         0.2837249802        -3.342914088       -0.3841856281    
O         -2.455583686        -2.061176588         1.363171592    
H         -2.763104882        -2.713019252         1.991531689    
H         -1.694937885        -2.459254098        0.9069692955    
O         -1.297647484        0.4203302730         1.482921902    
H         -1.686247022         1.111018360         2.016818526    
H         -1.836215720       -0.3775394353         1.627591151    
O          1.353685707       -0.6783560454         1.000231825    
H         0.6284476624       -0.1585545905         1.371385833    
H          1.676869923       -0.1414181992        0.2604293199    
O         -1.022952868       -0.1235245807E-01    -1.388501596    
H        -0.8998574834       -0.9566513920        -1.243868015    
H         -1.275980917        0.3127395272       -0.5152372857    
    18
Energy=    -45.2969172058699    
O          1.605364415        0.8295315426        -1.351290627    
H          2.047479894        0.9085221553        -2.195537587    
H         0.6792929378        0.6017151069        -1.549075297    
O        -0.1734532348        -2.559098593       -0.9283671173E-01
H         0.5002486450        -1.964040065        0.3148721543    
H         0.2910618403        -3.342489533       -0.3806668228    
O         -2.455695829        -2.060774473         1.363561721    
H         -2.778843473        -2.721988524         1.974126308    
H         -1.697375739        -2.458825916        0.9037080891    
O         -1.291285537        0.4206531215         1.480264337    
H         -1.659044593         1.112823205         2.026861128    
H         -1.837515860       -0.3720964355         1.625271043    
O          1.352514139       -0.6705751968         1.004666541    
H         0.6181967928       -0.1559198670         1.362086268    
H          1.675318878       -0.1386195230        0.2598878590    
O         -1.021645324       -0.1750744154E-01    -1.383678205    
H        -0.9047322331       -0.9609903644        -1.234843097    
H         -1.278655666        0.3149546253       -0.5143089233    
    18
Energy=    -45.2511430305833    
O          1.589685976        0.8337845278        -1.351486890    
H          2.044150271        0.9117904503        -2.188597714    
H         0.6694991966        0.5896695311        -1.558714705    
O        -0.1632176961        -2.561285841       -0.8599148559E-01
H         0.5058765483        -1.959250306        0.3179579481    
H         0.3063451862        -3.344998412       -0.3696300767    
O         -2.454730638        -2.048204392         1.353958905    
H         -2.808631577        -2.720610185         1.935110991    
H         -1.699980385        -2.450369638        0.8910488934    
O         -1.278009517        0.4226579383         1.493168919    
H         -1.611333053         1.110530047         2.068675929    
H         -1.832146965       -0.3646680388         1.634927716    
O          1.353203230       -0.6577573108         1.011204579    
H         0.6055948048       -0.1493653359         1.354514982    
H          1.670495803       -0.1329402591        0.2606001682    
O         -1.025018435       -0.4047384403E-01    -1.392636060    
H        -0.9044931066       -0.9828227726        -1.227067559    
H         -1.296059588        0.3095876658       -0.5339763636    
    18
Energy=    -45.2366390553630    
O          1.589730231        0.8345630972        -1.351800829    
H          2.042905058        0.9118844683        -2.188409414    
H         0.6687381352        0.5894014231        -1.557874126    
O        -0.1631667600        -2.560766424       -0.8458253272E-01
H         0.5058829551        -1.958624890        0.3177288513    
H         0.3067861548        -3.345742996       -0.3688424748    
O         -2.454077368        -2.045809218         1.351716461    
H         -2.809824061        -2.717627505         1.932797832    
H         -1.699065041        -2.448913181        0.8900692123    
O         -1.274776861        0.4224437316         1.498731607    
H         -1.611717309         1.110434285         2.074232583    
H         -1.831490247       -0.3643619471         1.635224827    
O          1.354389039       -0.6574184957         1.011305098    
H         0.6060295288       -0.1496326258         1.356161676    
H          1.669106404       -0.1328531235        0.2603115326    
O         -1.024997065       -0.4287332834E-01    -1.395662434    
H        -0.9029101541       -0.9859315418        -1.230097860    
H         -1.300312584        0.3071020964       -0.5379418325    
    18
Energy=    -45.2246730417386    
O          1.581152932        0.8354238493        -1.350603125    
H          2.042737345        0.9130841611        -2.185115133    
H         0.6649418616        0.5858886979        -1.563630261    
O        -0.1577308689        -2.562788369       -0.8541705405E-01
H         0.5083816863        -1.957361196        0.3198960596    
H         0.3134768663        -3.345409177       -0.3629755401    
O         -2.454561090        -2.040806887         1.347297345    
H         -2.821017006        -2.716246933         1.915624458    
H         -1.702442944        -2.445424387        0.8850839384    
O         -1.273377234        0.4246777137         1.497344967    
H         -1.589889709         1.106187673         2.091595200    
H         -1.827999013       -0.3615085279         1.645968497    
O          1.351546134       -0.6533135590         1.013718501    
H         0.6025475384       -0.1456427007         1.352283747    
H          1.669349826       -0.1291722042        0.2617450932    
O         -1.028866018       -0.5335949064E-01    -1.400135329    
H        -0.9026533879       -0.9952980183        -1.222698517    
H         -1.304366865        0.3063431797       -0.5469146690    
    18
Energy=    -45.1856066991072    
O          1.572020394        0.8360848329        -1.350446949    
H          2.043046328        0.9143491618        -2.178282070    
H         0.6590221882        0.5810407359        -1.573590773    
O        -0.1512807918        -2.562256784       -0.8753618343E-01
H         0.5112363688        -1.957442513        0.3231178742    
H         0.3241320642        -3.346926009       -0.3569710054    
O         -2.456769317        -2.036318433         1.344298256    
H         -2.835125243        -2.719431999         1.895669844    
H         -1.707912510        -2.443210462        0.8793081487    
O         -1.277361672        0.4279951819         1.487048311    
H         -1.558554924         1.099850454         2.107402554    
H         -1.823382328       -0.3573440131         1.660230785    
O          1.347501707       -0.6483768986         1.014378758    
H         0.5956554677       -0.1386344674         1.345271911    
H          1.671452758       -0.1250312457        0.2657328417    
O         -1.033476530       -0.6448205851E-01    -1.401829682    
H        -0.9051649069        -1.002418978        -1.206838809    
H         -1.303808998        0.3078273192       -0.5538956329    
    18
Energy=    -45.1543339215378    
O          1.572991402        0.8345609152        -1.350804232    
H          2.045889902        0.9142036762        -2.177797268    
H         0.6593825500        0.5804806502        -1.576218166    
O        -0.1516482256        -2.562008364       -0.8966370233E-01
H         0.5112037876        -1.959172904        0.3234872189    
H         0.3237704985        -3.346371736       -0.3596748558    
O         -2.458483082        -2.041821071         1.350865052    
H         -2.832911676        -2.728727116         1.901420749    
H         -1.709868818        -2.447751543        0.8815204790    
O         -1.282607937        0.4273461822         1.472899438    
H         -1.557790361         1.101276891         2.093395781    
H         -1.826233809       -0.3570768036         1.656888378    
O          1.345841963       -0.6489760505         1.014036671    
H         0.5927068377       -0.1375006879         1.340654581    
H          1.674287328       -0.1256250215        0.2665012693    
O         -1.029618406       -0.5824797437E-01    -1.392471832    
H        -0.9110598990       -0.9921070326        -1.199012884    
H         -1.294622000        0.3127918151       -0.5429584996    
    18
Energy=    -45.1443289675879    
O          1.569637215        0.8358488764        -1.350210358    
H          2.043848313        0.9146319168        -2.176003642    
H         0.6580288319        0.5798777662        -1.577078420    
O        -0.1490248457        -2.562269491       -0.8908378835E-01
H         0.5114182103        -1.957739107        0.3241160465    
H         0.3275922793        -3.347488766       -0.3557840046    
O         -2.457671456        -2.037587488         1.344622134    
H         -2.839611003        -2.722295259         1.891366326    
H         -1.710084937        -2.442360668        0.8776735765    
O         -1.283739478        0.4306609078         1.480901490    
H         -1.546515929         1.099522948         2.108234404    
H         -1.821624189       -0.3594812189         1.664735703    
O          1.345512032       -0.6464089123         1.014214155    
H         0.5929356986       -0.1364412197         1.342345699    
H          1.673709100       -0.1240901772        0.2670511151    
O         -1.037748605       -0.6623283190E-01    -1.403375193    
H        -0.9069661172        -1.002325156        -1.197949252    
H         -1.298465066        0.3094517042       -0.5527078132    
    18
Energy=    -45.1006624610230    
O          1.565141644        0.8382705182        -1.348421178    
H          2.040459512        0.9153450745        -2.174160066    
H         0.6550246704        0.5788999590        -1.577928643    
O        -0.1454549728        -2.563077021       -0.8793500591E-01
H         0.5121743158        -1.955049553        0.3250804823    
H         0.3330698998        -3.348965512       -0.3494013118    
O         -2.457768449        -2.027494279         1.334689590    
H         -2.850036046        -2.711579903         1.875829119    
H         -1.707897297        -2.435039677        0.8704265184    
O         -1.282647180        0.4336471915         1.494449996    
H         -1.531640237         1.097539220         2.134662656    
H         -1.814420662       -0.3620581764         1.677010112    
O          1.345948593       -0.6438686866         1.015144570    
H         0.5933392955       -0.1345317335         1.346163674    
H          1.672243084       -0.1210382582        0.2669098533    
O         -1.049610016       -0.8573313405E-01    -1.418503408    
H        -0.9004311923        -1.013502447        -1.200424361    
H         -1.306264908        0.3035102419       -0.5705244195    
    18
Energy=    -45.0510668237976    
O          1.560452387        0.8407177639        -1.347095515    
H          2.036435121        0.9159821383        -2.172603729    
H         0.6520142620        0.5780895871        -1.578242381    
O        -0.1425169661        -2.563333850       -0.8618696115E-01
H         0.5135592067        -1.952965301        0.3258833446    
H         0.3375588444        -3.349701272       -0.3427830258    
O         -2.456997040        -2.016414168         1.324149621    
H         -2.858276164        -2.699147737         1.859667215    
H         -1.706492200        -2.428509567        0.8647690388    
O         -1.276064776        0.4360788140         1.509778838    
H         -1.521533495         1.091149781         2.161373438    
H         -1.808540879       -0.3596390840         1.688763125    
O          1.346539732       -0.6421545242         1.015878011    
H         0.5952160776       -0.1330612249         1.350445524    
H          1.669095125       -0.1179879472        0.2671779647    
O         -1.056748651       -0.1032318826        -1.430946755    
H        -0.8928778677        -1.028452524        -1.207114216    
H         -1.319592663        0.2978548233       -0.5898453589    
    18
Energy=    -45.0151500635220    
O          1.558045062        0.8419375889        -1.346488047    
H          2.034411294        0.9163035788        -2.171859826    
H         0.6504307413        0.5776680425        -1.578405964    
O        -0.1410930652        -2.563555864       -0.8539420353E-01
H         0.5144041488        -1.951874734        0.3264041960    
H         0.3396526885        -3.349970827       -0.3394733632    
O         -2.456814973        -2.010833085         1.318906849    
H         -2.862189123        -2.692854184         1.851676735    
H         -1.705657091        -2.425330967        0.8619953679    
O         -1.272439447        0.4359425727         1.516955898    
H         -1.517047016         1.088809984         2.175531220    
H         -1.805386339       -0.3578165036         1.694218328    
O          1.346817882       -0.6414446654         1.016242808    
H         0.5961606240       -0.1323760166         1.352674213    
H          1.667506579       -0.1164338474        0.2672399756    
O         -1.059941275       -0.1115743352        -1.436662681    
H        -0.8891089681        -1.035571959        -1.210487221    
H         -1.326521667        0.2942490475       -0.6000061078    
    18
Energy=    -44.9558051096200    
O          1.559193614        0.8417058746        -1.345997978    
H          2.034997644        0.9162165321        -2.172206639    
H         0.6510864668        0.5778911071        -1.578354796    
O        -0.1422487817        -2.563651325       -0.8546023395E-01
H         0.5143116216        -1.951845208        0.3260188361    
H         0.3397762164        -3.350237772       -0.3403745956    
O         -2.456814895        -2.010971785         1.319661759    
H         -2.861927308        -2.695510310         1.854060030    
H         -1.705523169        -2.426407872        0.8621101692    
O         -1.273035903        0.4394820774         1.513962123    
H         -1.516915486         1.088472599         2.170962059    
H         -1.807774120       -0.3612946192         1.696024572    
O          1.347244583       -0.6420523401         1.016737787    
H         0.5953963175       -0.1318350617         1.351845267    
H          1.668072628       -0.1164572683        0.2668875704    
O         -1.063385502       -0.1120704421        -1.433582701    
H        -0.8885996768        -1.035263021        -1.211371254    
H         -1.322624196        0.2991026608       -0.5978537971    
    18
Energy=    -44.7587559322417    
O          1.548279604        0.8462904324        -1.345302540    
H          2.026895441        0.9174762100        -2.169151496    
H         0.6436068357        0.5757237660        -1.579040044    
O        -0.1354833393        -2.562595502       -0.8255718817E-01
H         0.5175529501        -1.948838997        0.3288006637    
H         0.3467173858        -3.351321743       -0.3273428488    
O         -2.454010376        -1.991190341         1.300623282    
H         -2.875634035        -2.668425127         1.821515182    
H         -1.704391065        -2.413867774        0.8537084664    
O         -1.256790382        0.4421901496         1.552340411    
H         -1.502702859         1.070099583         2.221553779    
H         -1.794627980       -0.3472966115         1.707846159    
O          1.347091340       -0.6384402603         1.016251032    
H         0.6010209154       -0.1310984731         1.361615442    
H          1.660752161       -0.1112141204        0.2683421023    
O         -1.054013261       -0.1411134377        -1.463964105    
H        -0.8819794286        -1.055290332        -1.219944807    
H         -1.361053852        0.2741864025       -0.6322253139    
    18
Energy=    -44.5342805480967    
O          1.529967264        0.8541329176        -1.343673604    
H          2.013916165        0.9197203623        -2.164836501    
H         0.6300311704        0.5716912960        -1.580628786    
O        -0.1250449886        -2.560985425       -0.7831173291E-01
H         0.5241423385        -1.942637909        0.3348192889    
H         0.3580018494        -3.353971912       -0.3063838015    
O         -2.451528173        -1.956300755         1.266695553    
H         -2.899470731        -2.626519683         1.771660732    
H         -1.699637949        -2.392866541        0.8388921087    
O         -1.226398489        0.4512220470         1.615858179    
H         -1.477852396         1.047084311         2.306737375    
H         -1.776706395       -0.3338686212         1.726345907    
O          1.347422214       -0.6348891342         1.016283526    
H         0.6082467710       -0.1296952385         1.379025986    
H          1.650141906       -0.1015796187        0.2683990188    
O         -1.044452736       -0.1822120956        -1.502799941    
H        -0.8681042905        -1.086159665        -1.233685364    
H         -1.421443476        0.2231094910       -0.7013297651    
    18
Energy=    -44.4053322458209    
O          1.528158486        0.8549473960        -1.343289004    
H          2.012601503        0.9199473135        -2.164543303    
H         0.6281365582        0.5711464790        -1.580952042    
O        -0.1244993727        -2.560555603       -0.7808573631E-01
H         0.5251069678        -1.942132663        0.3354863949    
H         0.3594995413        -3.354480839       -0.3040639572    
O         -2.450506415        -1.949891178         1.263098391    
H         -2.902455840        -2.623492254         1.766687890    
H         -1.699149343        -2.391856608        0.8372184223    
O         -1.218483812        0.4534478231         1.619111371    
H         -1.477526731         1.044108304         2.317634543    
H         -1.777516950       -0.3336237297         1.729120426    
O          1.347865667       -0.6353506788         1.016412012    
H         0.6086034046       -0.1289297675         1.381157282    
H          1.648937646       -0.1000955334        0.2681727702    
O         -1.037237942       -0.1849054091        -1.511812247    
H        -0.8693703671        -1.089407552        -1.232900387    
H         -1.430932947        0.2163983243       -0.7053846484    
    18
Energy=    -44.3353600752426    
O          1.512704247        0.8616016590        -1.341771615    
H          2.001700739        0.9218600729        -2.161008415    
H         0.6166350227        0.5677220063        -1.582360570    
O        -0.1155611539        -2.559349451       -0.7448061213E-01
H         0.5306920401        -1.936807529        0.3406234973    
H         0.3689062371        -3.356629496       -0.2864337887    
O         -2.448696163        -1.919732989         1.233713289    
H         -2.922840669        -2.588947405         1.725497209    
H         -1.694668726        -2.374129814        0.8245541001    
O         -1.191891881        0.4603929097         1.670960477    
H         -1.456704473         1.027151101         2.391112277    
H         -1.763028722       -0.3238097120         1.745211585    
O          1.348298956       -0.6328169908         1.016652836    
H         0.6142848506       -0.1275924944         1.395961578    
H          1.640233997       -0.9177655078E-01    0.2678175414    
O         -1.032594720       -0.2172461046        -1.541713570    
H        -0.8564241626        -1.116564143        -1.244432788    
H         -1.479815363        0.1719487563       -0.7668348532    
    18
Energy=    -44.2707138120811    
O          1.494430434        0.8694235625        -1.340090806    
H          1.988845774        0.9241137233        -2.156765450    
H         0.6033727761        0.5637728020        -1.583935472    
O        -0.1047319362        -2.558047344       -0.7009321813E-01
H         0.5370899686        -1.930496151        0.3466207581    
H         0.3798166666        -3.359026884       -0.2657440354    
O         -2.446707504        -1.885636078         1.199006227    
H         -2.946655587        -2.547665803         1.676930346    
H         -1.689549072        -2.352566324        0.8097887175    
O         -1.163164136        0.4676458314         1.733649076    
H         -1.431050944         1.007437402         2.476678975    
H         -1.744433784       -0.3113844392         1.763744381    
O          1.348547047       -0.6293523315         1.016889896    
H         0.6212409941       -0.1263629198         1.413192393    
H          1.630023590       -0.8223580035E-01    0.2675408631    
O         -1.030710919       -0.2560979059        -1.574333310    
H        -0.8397377261        -1.148588480        -1.259130050    
H         -1.535395588        0.1203409646       -0.8408811148    
    18
Energy=    -44.2293040817160    
O          1.475904107        0.8772982983        -1.338564548    
H          1.975777906        0.9263863469        -2.152323549    
H         0.5901954810        0.5598761857        -1.585450287    
O        -0.9357169323E-01    -2.556834922       -0.6556206292E-01
H         0.5434344287        -1.924095490        0.3526367267    
H         0.3907372891        -3.361324801       -0.2448588546    
O         -2.445306441        -1.852837396         1.164344525    
H         -2.970028738        -2.504768839         1.627211985    
H         -1.684541399        -2.330282398        0.7949859187    
O         -1.136779353        0.4746653254         1.799388619    
H         -1.403897530        0.9866273356         2.561321218    
H         -1.724111458       -0.2975100608         1.782277943    
O          1.348555445       -0.6252540827         1.016971198    
H         0.6286145485       -0.1254513802         1.430386590    
H          1.619632796       -0.7291312196E-01    0.2675792453    
O         -1.030917144       -0.2971464611        -1.606098399    
H        -0.8220715952        -1.180122886        -1.274979684    
H         -1.590396597        0.6896217001E-01   -0.9161984055    
    18
Energy=    -44.2158500617368    
O          1.462255731        0.8830882094        -1.337442763    
H          1.966147291        0.9280581969        -2.149043154    
H         0.5804905965        0.5570173468        -1.586571254    
O        -0.8535583885E-01    -2.555944147       -0.6221854994E-01
H         0.5481003151        -1.919390210        0.3570582326    
H         0.3987826225        -3.363011806       -0.2294769578    
O         -2.444276345        -1.828699952         1.138835864    
H         -2.987202374        -2.473141751         1.590560719    
H         -1.680876398        -2.313869160        0.7840956220    
O         -1.117381021        0.4798409543         1.847870070    
H         -1.383879649        0.9712099670         2.623590880    
H         -1.709135847       -0.2872221073         1.795944977    
O          1.348556722       -0.6222143610         1.017028627    
H         0.6340607843       -0.1247807008         1.443040944    
H          1.611972644       -0.6605362712E-01    0.2676237168    
O         -1.031017458       -0.3274633167        -1.629553527    
H        -0.8090604337        -1.203276224        -1.286642591    
H         -1.630951287        0.3112651401E-01   -0.9716326785    
    18
Energy=    -44.2145176470734    
O          1.459097834        0.8844606151        -1.337176360    
H          1.963916799        0.9284498001        -2.148289417    
H         0.5782437634        0.5563372846        -1.586820940    
O        -0.8343053622E-01    -2.555736876       -0.6143216106E-01
H         0.5491784138        -1.918254445        0.3581066221    
H         0.4006461795        -3.363437253       -0.2259181771    
O         -2.444062802        -1.823171944         1.132870048    
H         -2.991370956        -2.465798473         1.582129795    
H         -1.679872892        -2.309976851        0.7814964796    
O         -1.112983086        0.4810870170         1.859251733    
H         -1.379093779        0.9679701977         2.638262505    
H         -1.705639245       -0.2851622150         1.798852701    
O          1.348573819       -0.6215105072         1.017033157    
H         0.6352958703       -0.1246482613         1.446017553    
H          1.610223022       -0.6446501309E-01    0.2675938057    
O         -1.031107189       -0.3346968160        -1.634885240    
H        -0.8057014996        -1.208987825        -1.289582433    
H         -1.640683663        0.2281539050E-01   -0.9844414943    
    18
Energy=    -44.2128233004806    
O          1.453691755        0.8859975471        -1.336818736    
H          1.960188134        0.9289559453        -2.146960569    
H         0.5741397323        0.5554746896        -1.587706274    
O        -0.8099153929E-01    -2.555517262       -0.6008707687E-01
H         0.5505215446        -1.916838206        0.3595990469    
H         0.4032323307        -3.363916481       -0.2205522187    
O         -2.442955313        -1.813578918         1.124581002    
H         -2.996537287        -2.454232824         1.568921484    
H         -1.678785868        -2.303701903        0.7777924849    
O         -1.105984970        0.4819912458         1.874927929    
H         -1.372666025        0.9605506707         2.658804791    
H         -1.701401814       -0.2809811726         1.803548969    
O          1.348859767       -0.6202222035         1.017276476    
H         0.6376492358       -0.1241956088         1.450705734    
H          1.607278353       -0.6179434056E-01    0.2677188659    
O         -1.030570307       -0.3445737454        -1.643219286    
H        -0.8019767340        -1.216234919        -1.293319879    
H         -1.652460941        0.8091310537E-02    -1.002144564    
    18
Energy=    -44.2144233310386    
O          1.448285676        0.8875344791        -1.336461113    
H          1.956459469        0.9294620904        -2.145631722    
H         0.5700357012        0.5546120947        -1.588591608    
O        -0.7855254236E-01    -2.555297649       -0.5874199268E-01
H         0.5518646755        -1.915421967        0.3610914716    
H         0.4058184820        -3.364395709       -0.2151862602    
O         -2.441847824        -1.803985891         1.116291957    
H         -3.001703619        -2.442667174         1.555713172    
H         -1.677698845        -2.297426956        0.7740884903    
O         -1.098986854        0.4828954747         1.890604126    
H         -1.366238271        0.9531311438         2.679347077    
H         -1.697164383       -0.2768001302         1.808245237    
O          1.349145714       -0.6189338998         1.017519795    
H         0.6400026012       -0.1237429563         1.455393915    
H          1.604333684       -0.5912366804E-01    0.2678439261    
O         -1.030033425       -0.3544506748        -1.651553333    
H        -0.7982519685        -1.223482014        -1.297057325    
H         -1.664238218       -0.6632769422E-02    -1.019847634    
    18
Energy=    -44.2378257843438    
O          1.413676701        0.8933852366        -1.334521414    
H          1.933096836        0.9318582725        -2.136798788    
H         0.5424025214        0.5504278108        -1.596599075    
O        -0.6713263631E-01    -2.554639942       -0.4982427843E-01
H         0.5576721307        -1.908565113        0.3694756023    
H         0.4191848519        -3.366496729       -0.1847515119    
O         -2.431258623        -1.742933904         1.072677053    
H         -3.026537200        -2.373351145         1.478219157    
H         -1.671944259        -2.258139255        0.7530377663    
O         -1.058404050        0.4828860881         1.973221195    
H         -1.332263907        0.8999628273         2.789819750    
H         -1.678631073       -0.2505769224         1.833611599    
O          1.352428759       -0.6101728825         1.020158252    
H         0.6558702061       -0.1199946768         1.483650172    
H          1.586037387       -0.4232610363E-01    0.2690779877    
O         -1.024116004       -0.4075443732        -1.699237374    
H        -0.7804976470        -1.260945338        -1.317343798    
H         -1.718353939       -0.9756002502E-01    -1.110804118    
    18
Energy=    -44.2622724756092    
O          1.388963666        0.8976074996        -1.333189849    
H          1.916376310        0.9335760604        -2.130427254    
H         0.5226795356        0.5474274686        -1.602296989    
O        -0.5878618106E-01    -2.554269681       -0.4338894368E-01
H         0.5617173532        -1.903573530        0.3754844187    
H         0.4286433377        -3.367979072       -0.1630282734    
O         -2.424141462        -1.699958234         1.041805573    
H         -3.044497705        -2.323318844         1.422731843    
H         -1.667292209        -2.229788648        0.7376994902    
O         -1.030268504        0.4826960707         2.033049113    
H         -1.307376015        0.8628798855         2.869161599    
H         -1.664987241       -0.2324555287         1.850801924    
O          1.354765404       -0.6037732634         1.022029860    
H         0.6672301555       -0.1174411671         1.503942950    
H          1.573043581       -0.3037051032E-01    0.2698761482    
O         -1.020604169       -0.4462965739        -1.731762459    
H        -0.7668686353        -1.288212764        -1.332915591    
H         -1.757367166       -0.1614753418        -1.176505382    
    18
Energy=    -44.3172168905121    
O          1.377443028        0.9001414939        -1.333005433    
H          1.908477552        0.9344545611        -2.127220581    
H         0.5139037230        0.5457200176        -1.604544971    
O        -0.5378039197E-01    -2.554645445       -0.4017997986E-01
H         0.5632805297        -1.900263530        0.3787440611    
H         0.4324690213        -3.368776751       -0.1530076551    
O         -2.423871207        -1.685307391         1.028840906    
H         -3.054452368        -2.296343308         1.396088471    
H         -1.661735501        -2.214175437        0.7288935850    
O         -1.025254146        0.4806338887         2.067055550    
H         -1.291133531        0.8513944929         2.907717484    
H         -1.653879687       -0.2267883981         1.853102205    
O          1.355640965       -0.5997263696         1.022539344    
H         0.6727187775       -0.1174080399         1.513881651    
H          1.567402954       -0.2540050723E-01    0.2699563694    
O         -1.026801287       -0.4678047006        -1.736384053    
H        -0.7529597115        -1.306375180        -1.346724532    
H         -1.776238667       -0.1840555716        -1.212684245    
    18
Energy=    -44.3885602994367    
O          1.367124708        0.9018164857        -1.332283455    
H          1.901744673        0.9351586768        -2.124856061    
H         0.5058469746        0.5444705394        -1.606873767    
O        -0.5078863172E-01    -2.554102063       -0.3766856055E-01
H         0.5651834603        -1.898382476        0.3812110361    
H         0.4365971771        -3.369565649       -0.1440333299    
O         -2.418814333        -1.666230390         1.014954125    
H         -3.061987126        -2.277418556         1.373888615    
H         -1.661566785        -2.202654747        0.7234612712    
O         -1.012623231        0.4807441059         2.090393207    
H         -1.282049875        0.8340026330         2.938596110    
H         -1.648522194       -0.2176003685         1.862494906    
O          1.356498099       -0.5973017531         1.023332141    
H         0.6774418400       -0.1162140160         1.521881008    
H          1.561862350       -0.2045911145E-01    0.2705485829    
O         -1.024396556       -0.4812255408        -1.753300712    
H        -0.7491817166        -1.317334945        -1.350579239    
H         -1.791138780       -0.2124289997        -1.238097700    
    18
Energy=    -44.4050433797694    
O          1.357705945        0.9035898290        -1.331844722    
H          1.895389103        0.9358306376        -2.122505920    
H         0.4984521477        0.5431604094        -1.608916838    
O        -0.4755183417E-01    -2.553878484       -0.3535645702E-01
H         0.5668964627        -1.896392595        0.3836371543    
H         0.4401329464        -3.370105829       -0.1357024129    
O         -2.416216662        -1.650232102         1.002891367    
H         -3.068507322        -2.258307468         1.352733381    
H         -1.660182075        -2.191765705        0.7179500774    
O         -1.002598744        0.4805047859         2.113214049    
H         -1.272687438        0.8192371198         2.967670034    
H         -1.642472941       -0.2098171545         1.869994140    
O          1.357168275       -0.5948860766         1.024043939    
H         0.6818756426       -0.1154348929         1.529343391    
H          1.556814666       -0.1598937524E-01    0.2709861289    
O         -1.024108872       -0.4957211432        -1.765617920    
H        -0.7443054350        -1.327414410        -1.356328335    
H         -1.804573812       -0.2371037209        -1.263122879    
    18
Energy=    -44.4731444580721    
O          1.325176472        0.9119319936        -1.331320397    
H          1.872348576        0.9382692356        -2.114651171    
H         0.4738023991        0.5361670284        -1.615195968    
O        -0.3481476012E-01    -2.552172380       -0.2854959429E-01
H         0.5747387215        -1.889130913        0.3932156134    
H         0.4510528524        -3.370605034       -0.1057659669    
O         -2.410829453        -1.596308719        0.9567318041    
H         -3.087425428        -2.191933584         1.280123659    
H         -1.657845848        -2.154120374        0.7018421662    
O        -0.9693432303        0.4807092098         2.188630470    
H         -1.242739593        0.7645036869         3.062506648    
H         -1.616636522       -0.1801334051         1.903988694    
O          1.357131823       -0.5877136014         1.027348802    
H         0.6977416825       -0.1148385589         1.552883020    
H          1.538560278       -0.6495185695E-03    0.2726121592    
O         -1.028040018       -0.5484024595        -1.811305694    
H        -0.7310140989        -1.358333737        -1.376235194    
H         -1.840633799       -0.3219650444        -1.343790875    
    18
Energy=    -44.5153558493302    
O          1.310492418        0.9154731174        -1.331070796    
H          1.862882216        0.9393077298        -2.111999316    
H         0.4647570381        0.5327988070        -1.617476774    
O        -0.2886947771E-01    -2.549760652       -0.2538259384E-01
H         0.5777593921        -1.886740867        0.3968981181    
H         0.4553607443        -3.371067264       -0.9331549125E-01
O         -2.410093030        -1.574536010        0.9371357616    
H         -3.094658398        -2.164764349         1.250982608    
H         -1.656577226        -2.138908098        0.6954852754    
O        -0.9563222285        0.4823112928         2.220466730    
H         -1.230197683        0.7419796997         3.099029165    
H         -1.605868342       -0.1695751948         1.917923021    
O          1.358414470       -0.5847863311         1.026183378    
H         0.7027630674       -0.1142619977         1.563203009    
H          1.530637775        0.4341949403E-02    0.2746135305    
O         -1.032966516       -0.5696314210        -1.829352877    
H        -0.7253787953        -1.371553092        -1.384688042    
H         -1.850905370       -0.3553534952        -1.375566528    
    18
Energy=    -44.5171426689772    
O          1.305999709        0.9164761663        -1.331064455    
H          1.859676691        0.9396142252        -2.110916690    
H         0.4616257027        0.5317020068        -1.618480404    
O        -0.2716647003E-01    -2.549396699       -0.2431831665E-01
H         0.5787530538        -1.885945825        0.3979478296    
H         0.4565778406        -3.370983978       -0.8939575265E-01
O         -2.409647820        -1.567774815        0.9314108510    
H         -3.097060565        -2.156064080         1.241843051    
H         -1.656020091        -2.133963315        0.6931701501    
O        -0.9526794921        0.4821331718         2.230244455    
H         -1.225981751        0.7354428799         3.111300022    
H         -1.602553240       -0.1664713567         1.921333350    
O          1.358534972       -0.5836765815         1.026510850    
H         0.7046326219       -0.1142382894         1.566353941    
H          1.528301193        0.6184586092E-02    0.2748018378    
O         -1.033669213       -0.5764040200        -1.834775287    
H        -0.7233277671        -1.375995559        -1.387573158    
H         -1.854765321       -0.3653646929        -1.385324095    
    18
Energy=    -44.5213402398933    
O          1.301700658        0.9172228064        -1.330949858    
H          1.856725050        0.9398753377        -2.110191051    
H         0.4589663793        0.5300877751        -1.619808258    
O        -0.2627913965E-01    -2.548708321       -0.2337228945E-01
H         0.5800249552        -1.885340779        0.3986077552    
H         0.4572177402        -3.370795305       -0.8605803451E-01
O         -2.409239579        -1.562644757        0.9269994625    
H         -3.098456446        -2.149180773         1.235163258    
H         -1.655984011        -2.129820184        0.6912287495    
O        -0.9508777937        0.4816748815         2.237538341    
H         -1.222481351        0.7299141985         3.119505361    
H         -1.599881595       -0.1645698381         1.923447402    
O          1.358703225       -0.5825944675         1.026864984    
H         0.7058414002       -0.1143681637         1.568758957    
H          1.526328444        0.7520547457E-02    0.2749114539    
O         -1.033540116       -0.5820059378        -1.839061328    
H        -0.7224106973        -1.378980663        -1.390158270    
H         -1.855127069       -0.3720125337        -1.390358457    
    18
Energy=    -44.5501134201932    
O          1.276119945        0.9190846432        -1.331747377    
H          1.839461866        0.9416568203        -2.105066706    
H         0.4427656028        0.5195190095        -1.629100802    
O        -0.2209693480E-01    -2.545258248       -0.1680846989E-01
H         0.5863393586        -1.881977873        0.4005853557    
H         0.4584642504        -3.369326163       -0.6809565511E-01
O         -2.404670067        -1.532695162        0.9068078003    
H         -3.105498576        -2.113485985         1.201855671    
H         -1.655672636        -2.108404141        0.6787269268    
O        -0.9396216309        0.4771346022         2.270103568    
H         -1.205704925        0.6977972560         3.160823010    
H         -1.590536870       -0.1563409539         1.931676074    
O          1.360464658       -0.5759793999         1.030491229    
H         0.7119705012       -0.1144092193         1.580961300    
H          1.515242721        0.1553903627E-01    0.2750862314    
O         -1.029308480       -0.6070573293        -1.861771789    
H        -0.7167362035        -1.397972997        -1.402424191    
H         -1.849752525       -0.4025500711        -1.409033998    
    18
Energy=    -44.5715175623163    
O          1.253666468        0.9196350185        -1.333288535    
H          1.824125133        0.9435590638        -2.100293891    
H         0.4274755687        0.5078420210        -1.638706114    
O        -0.1997863321E-01    -2.542005547       -0.1087124732E-01
H         0.5919469684        -1.878267879        0.4017004537    
H         0.4574575092        -3.368439286       -0.5336174233E-01
O         -2.400313594        -1.508997165        0.8925800727    
H         -3.109533886        -2.084823179         1.177763319    
H         -1.655808228        -2.090797821        0.6675638708    
O        -0.9327364666        0.4703981006         2.289697954    
H         -1.193682532        0.6700071618         3.189786546    
H         -1.584325232       -0.1508476566         1.936552132    
O          1.363979254       -0.5698403121         1.031996285    
H         0.7150837257       -0.1135971450         1.590848200    
H          1.505382323        0.2141278529E-01    0.2764298595    
O         -1.023462927       -0.6266338564        -1.877840694    
H        -0.7109648826        -1.414410780        -1.413474894    
H         -1.837080515       -0.4189196982        -1.414013397    
    18
Energy=    -44.6445220511079    
O          1.211239674        0.9176667237        -1.337840074    
H          1.798960603        0.9487218943        -2.092479097    
H         0.3993092327        0.4840212026        -1.655580115    
O        -0.1545164147E-01    -2.536284493       -0.5303420529E-03
H         0.5983929056        -1.868765361        0.4050246820    
H         0.4523907064        -3.369940041       -0.2870294290E-01
O         -2.392397711        -1.468833026        0.8709241074    
H         -3.115815464        -2.036092052         1.141008776    
H         -1.653580554        -2.060865603        0.6476607196    
O        -0.9175790700        0.4598872654         2.317629914    
H         -1.176966988        0.6163074641         3.226685972    
H         -1.580715629       -0.1450996121         1.944371116    
O          1.369043447       -0.5598765350         1.037644660    
H         0.7217496454       -0.1126877758         1.603682757    
H          1.487571361        0.3509027708E-01    0.2778005113    
O         -1.014344597       -0.6607881670        -1.896371770    
H        -0.6912180265        -1.447874147        -1.436288550    
H         -1.809357841       -0.4293141883        -1.411572145    
    18
Energy=    -44.6517291817914    
O          1.207179448        0.9155364241        -1.339643467    
H          1.797841178        0.9498648843        -2.092334968    
H         0.3995828901        0.4803736480        -1.656623626    
O        -0.1500292586E-01    -2.535896561       -0.5106623385E-03
H         0.5971807844        -1.868120943        0.4055370472    
H         0.4491488247        -3.369719433       -0.2820174176E-01
O         -2.392741595        -1.469996435        0.8726195221    
H         -3.113461516        -2.036629399         1.145268069    
H         -1.653242974        -2.060729025        0.6476254718    
O        -0.9207181652        0.4571920379         2.309949245    
H         -1.179301021        0.6130505560         3.216961652    
H         -1.582146364       -0.1469631340         1.943505016    
O          1.369568074       -0.5590581571         1.036398734    
H         0.7207356753       -0.1129000878         1.601917940    
H          1.486750953        0.3549985203E-01    0.2786727627    
O         -1.012496913       -0.6597734955        -1.893763040    
H        -0.6882665780        -1.449738740        -1.437536763    
H         -1.799379720       -0.4167181670        -1.396773012    
    18
Energy=    -44.6767272513062    
O          1.187180721        0.9193647505        -1.340030100    
H          1.782843956        0.9520833826        -2.087884322    
H         0.3856968537        0.4712833816        -1.662656695    
O        -0.9691076605E-02    -2.533163815        0.2911694737E-02
H         0.6016450772        -1.864548827        0.4109941997    
H         0.4525555356        -3.369618506       -0.1078704069E-01
O         -2.390002043        -1.442194079        0.8490824042    
H         -3.120989148        -2.001797682         1.110824742    
H         -1.652442130        -2.039898833        0.6390100597    
O        -0.9074609902        0.4556525640         2.344618380    
H         -1.163905521        0.5817272242         3.258155237    
H         -1.570081953       -0.1359500707         1.957734725    
O          1.370142479       -0.5543347514         1.036842447    
H         0.7274292452       -0.1130573114         1.613466732    
H          1.476299092        0.4390578865E-01    0.2795565995    
O         -1.013836584       -0.6869789621        -1.916411570    
H        -0.6812942232        -1.466323706        -1.449464460    
H         -1.802859237       -0.4508767222        -1.422894854    
    18
Energy=    -44.6853456587491    
O          1.176553078        0.9201204119        -1.340613251    
H          1.775140880        0.9542393522        -2.085975637    
H         0.3801515684        0.4647452680        -1.665844677    
O        -0.7451740935E-02    -2.531932562        0.3563553760E-02
H         0.6023083280        -1.863199725        0.4148673876    
H         0.4531515341        -3.369375163       -0.1625819874E-02
O         -2.388452154        -1.429434302        0.8385175789    
H         -3.123357775        -1.985580022         1.096220154    
H         -1.651773817        -2.029836017        0.6357975332    
O        -0.9025407001        0.4537966149         2.357527205    
H         -1.157639492        0.5652428245         3.272906422    
H         -1.565519374       -0.1323210064         1.963325438    
O          1.369924641       -0.5517546550         1.035800239    
H         0.7304124880       -0.1133104854         1.617795327    
H          1.471119234        0.4894543687E-01    0.2797366376    
O         -1.014318526       -0.6993536964        -1.925832745    
H        -0.6768458053        -1.474104751        -1.455648693    
H         -1.799632313       -0.4616136987        -1.427448475    
    18
Energy=    -44.6988548304841    
O          1.161516538        0.9192397745        -1.341444151    
H          1.763876582        0.9597225453        -2.083772355    
H         0.3738862599        0.4522906336        -1.670896890    
O        -0.5082999122E-02    -2.530802939        0.4004593893E-02
H         0.5996638146        -1.862399068        0.4212307960    
H         0.4531088645        -3.369107281        0.1286751084E-01
O         -2.385003203        -1.410786983        0.8259661075    
H         -3.125378177        -1.963344565         1.077489713    
H         -1.649428271        -2.016284849        0.6322392674    
O        -0.8982080328        0.4485757944         2.370942226    
H         -1.149550251        0.5404098139         3.288557281    
H         -1.561516890       -0.1299141215         1.966817488    
O          1.368774063       -0.5473097552         1.032337733    
H         0.7343242321       -0.1130944172         1.622488518    
H          1.463612311        0.5778261793E-01    0.2786305203    
O         -1.014550876       -0.7144627053        -1.936486202    
H        -0.6691634855        -1.484881192        -1.464847305    
H         -1.789650425       -0.4703594783        -1.423056675    
    18
Energy=    -44.7024144267709    
O          1.162995879        0.9183458361        -1.341505277    
H          1.764716971        0.9606155272        -2.084204445    
H         0.3755768647        0.4518746087        -1.670467870    
O        -0.5971966011E-02    -2.531493401        0.3491465729E-02
H         0.5982148439        -1.862761769        0.4213827021    
H         0.4528748081        -3.369335476        0.1250393858E-01
O         -2.384603433        -1.412610320        0.8279833029    
H         -3.124349397        -1.965321542         1.079761261    
H         -1.649188839        -2.017482481        0.6333334584    
O        -0.8993978073        0.4480066621         2.367253169    
H         -1.150821823        0.5417159251         3.285046251    
H         -1.563111720       -0.1314909393         1.964622852    
O          1.368312840       -0.5473011663         1.031449251    
H         0.7339003160       -0.1127746280         1.621298756    
H          1.464130086        0.5785609435E-01    0.2780633151    
O         -1.014847322       -0.7119735759        -1.934174253    
H        -0.6691559529        -1.483703382        -1.464278834    
H         -1.788044294       -0.4668921480        -1.418490867    
    18
Energy=    -44.7087470715068    
O          1.169828230        0.9162299455        -1.341206498    
H          1.768260676        0.9631725759        -2.085809214    
H         0.3810075340        0.4514667932        -1.668750852    
O        -0.8644351307E-02    -2.533828308        0.2088584318E-02
H         0.5936588413        -1.864131885        0.4212210924    
H         0.4525739767        -3.370113662        0.1057947854E-01
O         -2.383624880        -1.418688868        0.8347003439    
H         -3.121712402        -1.972966535         1.087409402    
H         -1.648054738        -2.022470352        0.6370215595    
O        -0.9036083172        0.4466889441         2.356500861    
H         -1.154791202        0.5476236941         3.273718160    
H         -1.567630752       -0.1360207930         1.957880358    
O          1.366833337       -0.5477971451         1.028796085    
H         0.7323326471       -0.1115909536         1.617536324    
H          1.466263439        0.5745812007E-01    0.2760975634    
O         -1.015893576       -0.7035425657        -1.926647782    
H        -0.6702287582        -1.478794000        -1.461897230    
H         -1.785339651       -0.4574211817        -1.406170057    
    18
Energy=    -44.7102119206274    
O          1.169177804        0.9160673208        -1.341150833    
H          1.767869038        0.9638807226        -2.085902182    
H         0.3809113322        0.4507836341        -1.668892517    
O        -0.8671017585E-02    -2.534080644        0.2384997976E-02
H         0.5932987689        -1.863965080        0.4213562055    
H         0.4527409672        -3.370298468        0.1164047693E-01
O         -2.383199994        -1.417627655        0.8340456613    
H         -3.121890148        -1.971436429         1.085962117    
H         -1.647767359        -2.021670934        0.6368655938    
O        -0.9032954119        0.4462901988         2.357333917    
H         -1.154289021        0.5461391385         3.275096810    
H         -1.567409542       -0.1358923349         1.957857401    
O          1.366610804       -0.5474761188         1.028513534    
H         0.7325648564       -0.1113303706         1.617754243    
H          1.465755590        0.5791247064E-01    0.2757952613    
O         -1.016057033       -0.7041770587        -1.927062435    
H        -0.6699195469        -1.479339065        -1.462483865    
H         -1.785200033       -0.4585055032        -1.406046207    
    18
Energy=    -44.7179220990630    
O          1.172698110        0.9145823559        -1.340746221    
H          1.769236500        0.9687116429        -2.087513735    
H         0.3844790013        0.4484659979        -1.667770249    
O        -0.1052918786E-01    -2.536677889        0.3190874955E-02
H         0.5889671123        -1.864027592        0.4211443943    
H         0.4538478370        -3.372124728        0.1460687614E-01
O         -2.381074519        -1.417722550        0.8353173120    
H         -3.121240888        -1.970447830         1.084637836    
H         -1.645677535        -2.022195883        0.6390279750    
O        -0.9046387387        0.4444440706         2.354712922    
H         -1.154957056        0.5444881579         3.273507713    
H         -1.568597543       -0.1376162644         1.954453569    
O          1.364324277       -0.5468742697         1.025759152    
H         0.7324444884       -0.1092538457         1.615946072    
H          1.465186074        0.5888052121E-01    0.2730436240    
O         -1.017874403       -0.7011002445        -1.923975096    
H        -0.6703369704        -1.477512523        -1.463048462    
H         -1.785026505       -0.4587453015        -1.399226379    
    18
Energy=    -44.7245945172075    
O          1.169458341        0.9138652806        -1.341279224    
H          1.765728472        0.9744106140        -2.087426430    
H         0.3833457484        0.4435481051        -1.668938568    
O        -0.1057349264E-01    -2.539008838        0.6258714194E-02
H         0.5866893656        -1.862415521        0.4214477198    
H         0.4551486786        -3.373587445        0.2295201861E-01
O         -2.377849516        -1.408932433        0.8298011881    
H         -3.123171553        -1.958674860         1.073018873    
H         -1.643114855        -2.016635764        0.6376786844    
O        -0.9020292607        0.4418643192         2.362598638    
H         -1.151157856        0.5325031380         3.283361152    
H         -1.566278985       -0.1358797356         1.955502657    
O          1.362624650       -0.5446344697         1.023550578    
H         0.7339100990       -0.1068111698         1.617570116    
H          1.461122233        0.6168985915E-01    0.2708095858    
O         -1.018917195       -0.7060289294        -1.927034484    
H        -0.6681435921        -1.481986601        -1.467688579    
H         -1.785561227       -0.4680117247        -1.399114463    
    18
Energy=    -44.7532479444475    
O          1.152879070        0.9121822842        -1.344768825    
H          1.748573099        0.9972646124        -2.088112589    
H         0.3765721453        0.4273232246        -1.678795415    
O        -0.1041799593E-01    -2.544877530        0.2357053039E-01
H         0.5869182493        -1.856316199        0.4181076377    
H         0.4575744835        -3.377342709        0.5957244926E-01
O         -2.366352362        -1.373988090        0.8031164744    
H         -3.128941173        -1.908789587         1.024755169    
H         -1.637664945        -1.994656757        0.6296535448    
O        -0.8904392930        0.4344556890         2.395986240    
H         -1.138217980        0.4798561439         3.318960928    
H         -1.552967860       -0.1278488604         1.967089166    
O          1.355394911       -0.5364503889         1.018239967    
H         0.7365064758       -0.9763684151E-01     1.621585954    
H          1.444207137        0.6787329709E-01    0.2631549175    
O         -1.020181322       -0.7280744949        -1.936112210    
H        -0.6605137263        -1.506660480        -1.489385922    
H         -1.781698859       -0.5010394870        -1.393549841    
    18
Energy=    -44.7599274946429    
O          1.148997243        0.9106711637        -1.346632295    
H          1.743533628         1.005113304        -2.089403581    
H         0.3769907758        0.4250570905        -1.682556416    
O        -0.1118348419E-01    -2.546504367        0.2781952695E-01
H         0.5881312954        -1.855728233        0.4177985944    
H         0.4575048178        -3.378021209        0.7133621602E-01
O         -2.363321507        -1.364776858        0.7960125091    
H         -3.129333915        -1.896520701         1.012426157    
H         -1.637017785        -1.990880913        0.6280276504    
O        -0.8886041877        0.4330556833         2.402751702    
H         -1.136284666        0.4652893120         3.325302637    
H         -1.549157037       -0.1268311454         1.969815077    
O          1.352735305       -0.5349819610         1.016223496    
H         0.7351690587       -0.9514540387E-01     1.620349921    
H          1.440561489        0.6874559033E-01    0.2602366338    
O         -1.020594795       -0.7326279695        -1.934481588    
H        -0.6595735964        -1.514012837        -1.495665697    
H         -1.777322586       -0.5066267206        -1.386292366    
    18
Energy=    -44.7646852992904    
O          1.139769009        0.9100409861        -1.347739470    
H          1.735990666         1.010345939        -2.088742158    
H         0.3723823421        0.4186484199        -1.687282530    
O        -0.9998915293E-02    -2.546194332        0.3047199595E-01
H         0.5882396112        -1.854723499        0.4199989000    
H         0.4571747022        -3.378439749        0.8272367821E-01
O         -2.360204150        -1.352571782        0.7874474485    
H         -3.130607754        -1.880261130        0.9980659767    
H         -1.636363695        -1.982247193        0.6244969914    
O        -0.8854015346        0.4301655287         2.412641416    
H         -1.131165303        0.4476809829         3.337174893    
H         -1.545846012       -0.1250605214         1.972212289    
O          1.351800191       -0.5318551090         1.014753672    
H         0.7363734784       -0.9422381504E-01     1.622397080    
H          1.435503267        0.7263143324E-01    0.2590036977    
O         -1.019973969       -0.7417598972        -1.939280845    
H        -0.6558465975        -1.523125940        -1.502506818    
H         -1.770595281       -0.5137764964        -1.382768039    
    18
Energy=    -44.7696139538254    
O          1.139961652        0.9092448554        -1.348100282    
H          1.734605571         1.014383757        -2.090261576    
H         0.3726731492        0.4176364986        -1.689517838    
O        -0.9649176888E-02    -2.547033288        0.3071552182E-01
H         0.5866419934        -1.855647990        0.4214599966    
H         0.4563239871        -3.379005343        0.8765773151E-01
O         -2.358454535        -1.351027428        0.7865999017    
H         -3.129947746        -1.876947875        0.9950654590    
H         -1.636412265        -1.981469166        0.6244747219    
O        -0.8866484930        0.4292351022         2.412603604    
H         -1.130954841        0.4431272954         3.336941521    
H         -1.545819174       -0.1263214533         1.970124447    
O          1.350666233       -0.5310089844         1.012945364    
H         0.7349971286       -0.9378926228E-01     1.620242305    
H          1.435243921        0.7323239387E-01    0.2574855974    
O         -1.020067490       -0.7411646086        -1.936656953    
H        -0.6558197062        -1.525737334        -1.503934006    
H         -1.766110153       -0.5124333443        -1.374777339    
    18
Energy=    -44.7746114906129    
O          1.138259597        0.9086532990        -1.349440159    
H          1.731624937         1.019845155        -2.091565825    
H         0.3719501912        0.4167091537        -1.692347486    
O        -0.8965030974E-02    -2.548144301        0.3220963582E-01
H         0.5860066685        -1.855582392        0.4229835689    
H         0.4560376280        -3.380437982        0.9570341344E-01
O         -2.356164244        -1.345701687        0.7826333346    
H         -3.130599245        -1.868848516        0.9868609662    
H         -1.635965608        -1.978844235        0.6231419003    
O        -0.8859900060        0.4284537577         2.416987466    
H         -1.129263592        0.4338163461         3.342192390    
H         -1.543861497       -0.1256594411         1.970492758    
O          1.349357582       -0.5298155368         1.011372273    
H         0.7338322454       -0.9278783134E-01     1.618818068    
H          1.433693799        0.7419109623E-01    0.2555871556    
O         -1.020136720       -0.7437582632        -1.935702839    
H        -0.6556760510        -1.530502410        -1.507132587    
H         -1.762910600       -0.5163123883        -1.369725856    
    18
Energy=    -44.7851023244496    
O          1.142200497        0.9074656123        -1.352640363    
H          1.730561022         1.031474618        -2.096752211    
H         0.3736713059        0.4196376554        -1.696705843    
O        -0.8307631480E-02    -2.552088491        0.3374120078E-01
H         0.5835961053        -1.856415123        0.4256410195    
H         0.4545722478        -3.384769976        0.1085709662    
O         -2.352159691        -1.342809076        0.7807353895    
H         -3.131195731        -1.861691773        0.9783285268    
H         -1.634888455        -1.980163640        0.6222971841    
O        -0.8882477616        0.4284512929         2.417594676    
H         -1.129932191        0.4232455356         3.343410446    
H         -1.542758440       -0.1262076797         1.967656478    
O          1.346725874       -0.5292032630         1.008147951    
H         0.7285096570       -0.9078240264E-01     1.611777160    
H          1.434575471        0.7310272837E-01    0.2511002775    
O         -1.019940032       -0.7417028940        -1.927107818    
H        -0.6587479594        -1.535193827        -1.509536716    
H         -1.757004234       -0.5170754722        -1.353190147    
    18
Energy=    -44.7867388700188    
O          1.149266085        0.9084944460        -1.357328849    
H          1.732549348         1.038219322        -2.101259107    
H         0.3767702127        0.4274056168        -1.697615825    
O        -0.7143880339E-02    -2.554597974        0.3423953414E-01
H         0.5819925725        -1.859213403        0.4266029034    
H         0.4537471293        -3.389252529        0.1149920494    
O         -2.350095985        -1.347184101        0.7822366328    
H         -3.132928694        -1.862088031        0.9761122348    
H         -1.634562873        -1.984458157        0.6218879977    
O        -0.8907830974        0.4308978689         2.416294133    
H         -1.131617700        0.4219505592         3.341950746    
H         -1.543506291       -0.1254047621         1.965043938    
O          1.345270967       -0.5304585101         1.006947729    
H         0.7234704128       -0.8979372122E-01     1.605567510    
H          1.438721859        0.6949354922E-01    0.2485805108    
O         -1.020506521       -0.7376577551        -1.919413307    
H        -0.6617311003        -1.535080455        -1.507580842    
H         -1.757682391       -0.5159981374        -1.344189811    
    18
Energy=    -44.7975592962433    
O          1.152884098        0.9099893746        -1.357120380    
H          1.735639205         1.039089952        -2.104122602    
H         0.3777271423        0.4300989820        -1.696942090    
O        -0.7377357598E-02    -2.556912293        0.3384867979E-01
H         0.5822603389        -1.859572368        0.4263699821    
H         0.4532185023        -3.390195130        0.1143767740    
O         -2.351054830        -1.350377872        0.7842417995    
H         -3.133387278        -1.865785780        0.9785920715    
H         -1.633844793        -1.988099363        0.6223071244    
O        -0.8919158313        0.4323902379         2.413377074    
H         -1.133189181        0.4247110331         3.338936855    
H         -1.544627828       -0.1249000027         1.964655062    
O          1.345070809       -0.5315297122         1.007110994    
H         0.7220982509       -0.8953528212E-01     1.603588479    
H          1.440921477        0.6741592531E-01    0.2485034323    
O         -1.021201157       -0.7353326225        -1.917070914    
H        -0.6625492800        -1.532428721        -1.505396825    
H         -1.759442233       -0.5137525334        -1.342187337    
    18
Energy=    -44.8142586114620    
O          1.166519288        0.9214453661        -1.365429796    
H          1.740027804         1.049641078        -2.120434144    
H         0.3859455433        0.4455223075        -1.698263288    
O        -0.8004606409E-02    -2.566751219        0.3541072122E-01
H         0.5834013595        -1.869241294        0.4261522059    
H         0.4498066100        -3.401273611        0.1274031359    
O         -2.350594855        -1.362168617        0.7884431077    
H         -3.136589989        -1.875188707        0.9773038601    
H         -1.635735342        -2.001660425        0.6216274140    
O        -0.9005660125        0.4400514320         2.404817521    
H         -1.133700494        0.4255201000         3.332771674    
H         -1.551525675       -0.1211966798         1.958626867    
O          1.341270899       -0.5362884318         1.006014963    
H         0.7139795845       -0.8704338219E-01     1.591810381    
H          1.453189464        0.5732755505E-01    0.2469853420    
O         -1.027493068       -0.7273718540        -1.905021755    
H        -0.6609930062        -1.523244851        -1.495966612    
H         -1.757707449       -0.5028049422        -1.319183420    
    18
Energy=    -44.8181443957805    
O          1.169516210        0.9244062774        -1.367732180    
H          1.739965639         1.053084735        -2.124928015    
H         0.3888006658        0.4483701428        -1.698841409    
O        -0.7516732186E-02    -2.569926505        0.3697953367E-01
H         0.5827024901        -1.872501291        0.4256970055    
H         0.4484558603        -3.404300110        0.1319732622    
O         -2.350404136        -1.364217242        0.7885849671    
H         -3.136597193        -1.877100288        0.9755412651    
H         -1.637011849        -2.004621941        0.6221672803    
O        -0.9028806406        0.4420171142         2.402273833    
H         -1.132996216        0.4243182398         3.331484865    
H         -1.553708699       -0.1207585740         1.956942757    
O          1.340105077       -0.5382754747         1.005123062    
H         0.7119555351       -0.8559020849E-01     1.589214913    
H          1.455887744        0.5602384087E-01    0.2458838855    
O         -1.029226205       -0.7251648824        -1.901652784    
H        -0.6604602766        -1.519894265        -1.494021531    
H         -1.755357219       -0.5005957433        -1.311622534    
    18
Energy=    -44.8220108898623    
O          1.165247070        0.9226627223        -1.368370640    
H          1.735516839         1.056528424        -2.124240315    
H         0.3875809764        0.4429119725        -1.700857668    
O        -0.8206562795E-02    -2.571009639        0.3958845164E-01
H         0.5815612741        -1.871651922        0.4261063888    
H         0.4480623543        -3.405526040        0.1375730897    
O         -2.349188546        -1.358091350        0.7845889592    
H         -3.136264566        -1.870125010        0.9687151568    
H         -1.636501743        -2.000285431        0.6220558145    
O        -0.9023737657        0.4398212338         2.404802634    
H         -1.129963221        0.4158905473         3.334196937    
H         -1.552927800       -0.1219071138         1.957370971    
O          1.338857605       -0.5359267293         1.003055134    
H         0.7134690820       -0.8450212426E-01     1.590022980    
H          1.452376913        0.5924672508E-01    0.2449305146    
O         -1.027939898       -0.7265664539        -1.901730345    
H        -0.6585154136        -1.523195916        -1.498229077    
H         -1.749560543       -0.5030000732        -1.306510809    
    18
Energy=    -44.8252912902703    
O          1.164042193        0.9234711126        -1.370311503    
H          1.733141098         1.059627021        -2.126452757    
H         0.3869890448        0.4421550254        -1.701971811    
O        -0.8502297342E-02    -2.573740011        0.4213245939E-01
H         0.5813502275        -1.873410651        0.4264031050    
H         0.4470103061        -3.408218941        0.1426035334    
O         -2.349373033        -1.356452667        0.7818222577    
H         -3.137498293        -1.867685358        0.9636195370    
H         -1.636459505        -1.999132967        0.6220004315    
O        -0.9031922639        0.4403550381         2.405508136    
H         -1.126798350        0.4112441273         3.335441148    
H         -1.553446299       -0.1217093420         1.958053276    
O          1.337920687       -0.5349922590         1.001694678    
H         0.7136873510       -0.8374511136E-01     1.589550360    
H          1.452081719        0.6048873023E-01    0.2443714457    
O         -1.026919178       -0.7255949700        -1.899778952    
H        -0.6567111363        -1.523424021        -1.499544512    
H         -1.746092217       -0.5039609321        -1.302072656    
    18
Energy=    -44.8298496033318    
O          1.160641647        0.9256362717        -1.375152151    
H          1.727349190         1.067642922        -2.132066621    
H         0.3849740371        0.4408589477        -1.705510395    
O        -0.9055673288E-02    -2.579541029        0.4747105922E-01
H         0.5812158804        -1.877693020        0.4277625756    
H         0.4443282702        -3.414296779        0.1558728420    
O         -2.349039480        -1.352012121        0.7754622391    
H         -3.140410637        -1.860382540        0.9511230629    
H         -1.636317336        -1.996359413        0.6207234533    
O        -0.9049254565        0.4412312684         2.407500158    
H         -1.119925175        0.3982143716         3.339065890    
H         -1.554662393       -0.1204950080         1.959225706    
O          1.336186662       -0.5332602434        0.9989947406    
H         0.7130403436       -0.8187169483E-01     1.588013060    
H          1.451628347        0.6313681610E-01    0.2425340520    
O         -1.024368400       -0.7250214768        -1.895889076    
H        -0.6523017472        -1.525308874        -1.502717995    
H         -1.737128025       -0.5052045749        -1.289344423    
    18
Energy=    -44.8317445237610    
O          1.164695989        0.9283829537        -1.377020848    
H          1.726334055         1.069706894        -2.138379551    
H         0.3854346735        0.4465137596        -1.703955366    
O        -0.1108505340E-01    -2.585851908        0.5117354362E-01
H         0.5812928464        -1.883582050        0.4286362780    
H         0.4428084844        -3.420366955        0.1592776604    
O         -2.352071605        -1.355803718        0.7751500167    
H         -3.143308925        -1.865802544        0.9456911393    
H         -1.638108620        -1.999570156        0.6224476442    
O        -0.9072189896        0.4445905860         2.405720952    
H         -1.113488594        0.4000827151         3.337977804    
H         -1.557598360       -0.1183529818         1.960701451    
O          1.336952864       -0.5335468973        0.9978078290    
H         0.7128849326       -0.8073576706E-01     1.585922185    
H          1.453306723        0.6475170754E-01    0.2417730816    
O         -1.020787872       -0.7176387535        -1.889639576    
H        -0.6489863106        -1.521186125        -1.501328890    
H         -1.739826184       -0.5063169350        -1.288887175    
    18
Energy=    -44.8390082464721    
O          1.167558787        0.9315339169        -1.377320297    
H          1.726288103         1.067520944        -2.141651473    
H         0.3840918442        0.4532292199        -1.698723946    
O        -0.1083650445E-01    -2.585975518        0.5188698674E-01
H         0.5818847895        -1.887055849        0.4321522410    
H         0.4403936769        -3.422142316        0.1575773727    
O         -2.355376949        -1.360585484        0.7776614733    
H         -3.146613379        -1.872505292        0.9441156759    
H         -1.640568911        -2.002168244        0.6229164700    
O        -0.9053934415        0.4464682917         2.402372018    
H         -1.109217629        0.4033544184         3.336626448    
H         -1.560516321       -0.1149719536         1.962344813    
O          1.339121879       -0.5327981720        0.9978198770    
H         0.7118686630       -0.8242597066E-01     1.583833225    
H          1.454261346        0.6393676664E-01    0.2409366599    
O         -1.017998712       -0.7166675058        -1.889472692    
H        -0.6459663154        -1.517888638        -1.498111461    
H         -1.741750871       -0.5055847898        -1.291895214    
    18
Energy=    -44.8403308412947    
O          1.168433267        0.9328576232        -1.377178125    
H          1.724413957         1.068921260        -2.143629100    
H         0.3838916225        0.4547623854        -1.696130893    
O        -0.1162781032E-01    -2.586412801        0.5459839404E-01
H         0.5821131181        -1.887764432        0.4338035130    
H         0.4384384522        -3.423179400        0.1598748235    
O         -2.356735937        -1.360882710        0.7777481064    
H         -3.148594816        -1.873376766        0.9398228565    
H         -1.641491424        -2.002279414        0.6235383775    
O        -0.9044227538        0.4456436635         2.401019529    
H         -1.105377494        0.4017107560         3.335756864    
H         -1.561512670       -0.1145025603         1.962138122    
O          1.338750693       -0.5320312558        0.9961585686    
H         0.7109237200       -0.8209486815E-01     1.581775824    
H          1.453168712        0.6389043492E-01    0.2386490209    
O         -1.016430298       -0.7162360824        -1.887965545    
H        -0.6438082643        -1.517794711        -1.498033753    
H         -1.738902020       -0.5059572971        -1.288878405    
    18
Energy=    -44.8417840933236    
O          1.167665292        0.9351052063        -1.377382613    
H          1.721001018         1.073216321        -2.145274648    
H         0.3835685424        0.4549340528        -1.694857087    
O        -0.1254314167E-01    -2.586406082        0.5890119816E-01
H         0.5823296276        -1.887063115        0.4354794290    
H         0.4361915338        -3.423409189        0.1668190685    
O         -2.357289786        -1.358340002        0.7755264361    
H         -3.151434239        -1.869413852        0.9309762182    
H         -1.641974250        -2.000527794        0.6236745539    
O        -0.9027911853        0.4437189906         2.401549843    
H         -1.100475178        0.3945622314         3.336583083    
H         -1.560785613       -0.1145987354         1.962024406    
O          1.336674798       -0.5317570457        0.9930075048    
H         0.7090915707       -0.8069852579E-01     1.578131791    
H          1.451831417        0.6334575492E-01    0.2350430961    
O         -1.015203895       -0.7184047028        -1.886065020    
H        -0.6411448932        -1.520619141        -1.499247015    
H         -1.733481565       -0.5083705459        -1.281822066    
    18
Energy=    -44.8431665689886    
O          1.166373642        0.9381668995        -1.377158139    
H          1.720896022         1.074777185        -2.144270450    
H         0.3835306108        0.4557916673        -1.695006402    
O        -0.1380487990E-01    -2.586225447        0.6048576585E-01
H         0.5808648247        -1.885508231        0.4351944877    
H         0.4359674379        -3.422290463        0.1703306322    
O         -2.358471927        -1.357854893        0.7751883746    
H         -3.153512656        -1.868420933        0.9264776636    
H         -1.643089683        -2.000284882        0.6243622990    
O        -0.9023616347        0.4436452013         2.400726253    
H         -1.097271144        0.3925068094         3.336141194    
H         -1.559898626       -0.1161869309         1.962384706    
O          1.335890432       -0.5331127269        0.9911313894    
H         0.7084122062       -0.8000327015E-01     1.574879942    
H          1.454799631        0.6219146354E-01    0.2338906132    
O         -1.013931714       -0.7193256470        -1.883760345    
H        -0.6394507346        -1.521489759        -1.497682633    
H         -1.733711754       -0.5111022174        -1.280247174    
    18
Energy=    -44.8449665127547    
O          1.162085659        0.9428008390        -1.372411183    
H          1.716250330         1.086363678        -2.138634940    
H         0.3818477703        0.4579980561        -1.692428803    
O        -0.1631650925E-01    -2.585696586        0.6577282053E-01
H         0.5801909265        -1.885004669        0.4377194389    
H         0.4325836688        -3.422136144        0.1774148156    
O         -2.363974703        -1.358150334        0.7735633006    
H         -3.159795781        -1.867267499        0.9259977168    
H         -1.649318258        -2.001634025        0.6245278029    
O        -0.8983277976        0.4407761745         2.392545960    
H         -1.090332919        0.3914969297         3.328764962    
H         -1.558984640       -0.1176090407         1.957040469    
O          1.343727444       -0.5343727515        0.9898510266    
H         0.7143134689       -0.8257248151E-01     1.572562793    
H          1.460097458        0.6075450081E-01    0.2319924069    
O         -1.011053649       -0.7230419787        -1.883634516    
H        -0.6372086622        -1.523298405        -1.492496099    
H         -1.734553752       -0.5141324379        -1.285079793    
