    18
Energy=    -42.2118269536411    
O        -0.3156522368        -2.809284599         1.065675542    
O         0.5818183013        -3.145890439        0.9957342165    
O        -0.3172381027        -2.049197908        0.4732799238    
O         0.2111886674       -0.5602677718E-01    0.1017769124    
O          1.167205608        0.8563960088E-01   -0.6985216591E-01
O        -0.2599787045        0.6138257645       -0.3917733254    
O         0.7072213816       -0.6610282271         2.792147170    
O         0.1385165324        -1.428399467         2.911159316    
O         0.4119445106       -0.3162501483         1.932721883    
O          2.640380564        -2.384665319         1.518103121    
O          2.106391032        -1.822050668         2.101511595    
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O          2.901701958        0.9992424122E-01    0.6787308714E-01
O          3.071279516       -0.8207815572        0.3067776931    
O          3.098410186        0.5740349664        0.8881328947    
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O          3.081006043         1.748373110         3.315600308    
O          2.207416670        0.5019631309         3.102467362    
    18
Energy=    -42.2118269536703    
O        -0.3156522384        -2.809284598         1.065675541    
O         0.5818182982        -3.145890441        0.9957342139    
O        -0.3172381047        -2.049197909        0.4732799203    
O         0.2111886672       -0.5602677667E-01    0.1017769146    
O          1.167205608        0.8563959831E-01   -0.6985216361E-01
O        -0.2599787032        0.6138257704       -0.3917733186    
O         0.7072213859       -0.6610282299         2.792147170    
O         0.1385165384        -1.428399470         2.911159316    
O         0.4119445128       -0.3162501492         1.932721883    
O          2.640380564        -2.384665319         1.518103119    
O          2.106391032        -1.822050671         2.101511595    
O          3.343490051        -2.730501148         2.069337301    
O          2.901701959        0.9992423930E-01    0.6787308899E-01
O          3.071279518       -0.8207815605        0.3067776929    
O          3.098410191        0.5740349637        0.8881328952    
O          3.020379794        0.9366331165         2.812959503    
O          3.081006037         1.748373117         3.315600305    
O          2.207416669        0.5019631327         3.102467361    
    18
Energy=    -42.2118269536279    
O        -0.3156521515        -2.809284609         1.065675595    
O         0.5818184267        -3.145890363        0.9957343473    
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O         0.2111886033       -0.5602677290E-01    0.1017767521    
O          1.167205529        0.8563972583E-01   -0.6985229605E-01
O        -0.2599788543        0.6138256107       -0.3917736210    
O         0.7072212825       -0.6610281557         2.792147150    
O         0.1385164180        -1.428399379         2.911159293    
O         0.4119444464       -0.3162500808         1.932721855    
O          2.640380564        -2.384665291         1.518103194    
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O          3.343490133        -2.730501044         2.069337313    
O          2.901701909        0.9992432795E-01    0.6787306306E-01
O          3.071279449       -0.8207814730        0.3067776705    
O          3.098410074        0.5740350333        0.8881328920    
O          3.020379906        0.9366328544         2.812959586    
O          3.081006294         1.748372834         3.315600412    
O          2.207416704        0.5019630048         3.102467441    
    18
Energy=    -42.2118269536123    
O        -0.3156521043        -2.809284638         1.065675632    
O         0.5818185076        -3.145890310        0.9957344234    
O        -0.3172379884        -2.049197926        0.4732800422    
O         0.2111886063       -0.5602675288E-01    0.1017767279    
O          1.167205522        0.8563972349E-01   -0.6985240175E-01
O        -0.2599789184        0.6138254451       -0.3917738304    
O         0.7072211441       -0.6610280639         2.792147164    
O         0.1385162925        -1.428399308         2.911159274    
O         0.4119443867       -0.3162500393         1.932721822    
O          2.640380558        -2.384665268         1.518103229    
O          2.106391134        -1.822050567         2.101511745    
O          3.343490208        -2.730500951         2.069337291    
O          2.901701832        0.9992440678E-01    0.6787305446E-01
O          3.071279370       -0.8207813954        0.3067776530    
O          3.098409997        0.5740351015        0.8881328941    
O          3.020379994        0.9366326700         2.812959644    
O          3.081006516         1.748372610         3.315600518    
O          2.207416721        0.5019629293         3.102467456    
    18
Energy=    -42.2118269536354    
O        -0.3156516999        -2.809284634         1.065675977    
O         0.5818188865        -3.145890402        0.9957349148    
O        -0.3172374570        -2.049198050        0.4732802140    
O         0.2111883038       -0.5602733225E-01    0.1017763914    
O          1.167205261        0.8563939736E-01   -0.6985228864E-01
O        -0.2599791668        0.6138241482       -0.3917751907    
O         0.7072203121       -0.6610272071         2.792147212    
O         0.1385158535        -1.428398807         2.911158985    
O         0.4119437070       -0.3162493342         1.932721770    
O          2.640380358        -2.384664592         1.518103199    
O          2.106391066        -1.822049768         2.101511685    
O          3.343490453        -2.730499638         2.069337106    
O          2.901701548        0.9992490704E-01    0.6787299980E-01
O          3.071279046       -0.8207809404        0.3067774472    
O          3.098409863        0.5740354175        0.8881329125    
O          3.020380401        0.9366314317         2.812959817    
O          3.081008392         1.748370613         3.315601716    
O          2.207416649        0.5019624566         3.102467470    
    18
Energy=    -42.2118269535958    
O        -0.3156516469        -2.809284714         1.065676185    
O         0.5818188708        -3.145890651        0.9957351014    
O        -0.3172372421        -2.049198275        0.4732802354    
O         0.2111882565       -0.5602754996E-01    0.1017761341    
O          1.167205156        0.8563934528E-01   -0.6985269859E-01
O        -0.2599794611        0.6138235707       -0.3917756919    
O         0.7072200217       -0.6610267769         2.792147291    
O         0.1385160679        -1.428398821         2.911158857    
O         0.4119432097       -0.3162488756         1.932721961    
O          2.640380170        -2.384664257         1.518103270    
O          2.106390807        -1.822049055         2.101511330    
O          3.343490552        -2.730498710         2.069337211    
O          2.901701564        0.9992498119E-01    0.6787288249E-01
O          3.071279146       -0.8207808420        0.3067773096    
O          3.098409761        0.5740354647        0.8881328486    
O          3.020380614        0.9366309279         2.812960019    
O          3.081009343         1.748369600         3.315602631    
O          2.207416589        0.5019623042         3.102467461    
    18
Energy=    -42.2118269535844    
O        -0.3156515785        -2.809284728         1.065676211    
O         0.5818188920        -3.145890815        0.9957351973    
O        -0.3172372175        -2.049198339        0.4732801849    
O         0.2111882817       -0.5602766526E-01    0.1017760298    
O          1.167205131        0.8563933746E-01   -0.6985296510E-01
O        -0.2599795943        0.6138232972       -0.3917758583    
O         0.7072199138       -0.6610265957         2.792147362    
O         0.1385162513        -1.428398833         2.911158860    
O         0.4119429282       -0.3162486039         1.932722106    
O          2.640380026        -2.384664145         1.518103228    
O          2.106390785        -1.822048754         2.101511224    
O          3.343490493        -2.730498266         2.069337229    
O          2.901701558        0.9992498457E-01    0.6787287061E-01
O          3.071279258       -0.8207808395        0.3067772714    
O          3.098409681        0.5740354621        0.8881328367    
O          3.020380703        0.9366307068         2.812960097    
O          3.081009714         1.748369185         3.315603025    
O          2.207416553        0.5019622783         3.102467429    
    18
Energy=    -42.2118269535428    
O        -0.3156515797        -2.809284773         1.065676343    
O         0.5818188704        -3.145890923        0.9957353193    
O        -0.3172371345        -2.049198421        0.4732802782    
O         0.2111882319       -0.5602771751E-01    0.1017759057    
O          1.167205080        0.8563933356E-01   -0.6985305277E-01
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O         0.7072198153       -0.6610265124         2.792147310    
O         0.1385162591        -1.428398812         2.911158732    
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O          2.640380072        -2.384663941         1.518103198    
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O          2.901701547        0.9992505929E-01    0.6787278733E-01
O          3.071279241       -0.8207807865        0.3067771728    
O          3.098409694        0.5740355012        0.8881327537    
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O          3.081010144         1.748368752         3.315603404    
O          2.207416536        0.5019621783         3.102467484    
    18
Energy=    -42.2118269534605    
O        -0.3156514122        -2.809284991         1.065677590    
O         0.5818187021        -3.145892009        0.9957364378    
O        -0.3172367655        -2.049198876        0.4732811973    
O         0.2111876907       -0.5602809380E-01    0.1017750847    
O          1.167204515        0.8563948333E-01   -0.6985347827E-01
O        -0.2599803353        0.6138217627       -0.3917781724    
O         0.7072188852       -0.6610261139         2.792146584    
O         0.1385155893        -1.428398682         2.911157479    
O         0.4119419107       -0.3162477358         1.932721470    
O          2.640380629        -2.384662475         1.518103390    
O          2.106389717        -1.822047455         2.101510223    
O          3.343491015        -2.730494449         2.069338795    
O          2.901701170        0.9992577684E-01    0.6787209033E-01
O          3.071278822       -0.8207801221        0.3067763383    
O          3.098410000        0.5740360057        0.8881319718    
O          3.020381530        0.9366287936         2.812960880    
O          3.081013416         1.748365407         3.315606377    
O          2.207416700        0.5019614391         3.102468080    
    18
Energy=    -42.2118269526399    
O        -0.3156489651        -2.809281113         1.065688102    
O         0.5818198258        -3.145890744        0.9957428361    
O        -0.3172364877        -2.049198338        0.4732873139    
O         0.2111833110       -0.5602624922E-01    0.1017700162    
O          1.167200216        0.8564060862E-01   -0.6985778478E-01
O        -0.2599843773        0.6138194568       -0.3917892332    
O         0.7072139107       -0.6610234869         2.792145217    
O         0.1385168733        -1.428404182         2.911137246    
O         0.4119412490       -0.3162362440         1.932722483    
O          2.640383724        -2.384660665         1.518107225    
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O          2.901698008        0.9992609875E-01    0.6787112791E-01
O          3.071276154       -0.8207800972        0.3067735872    
O          3.098406977        0.5740345889        0.8881319985    
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O          3.081019930         1.748352313         3.315614347    
O          2.207416612        0.5019537677         3.102470144    
    18
Energy=    -42.2118269516849    
O        -0.3156490623        -2.809279743         1.065691477    
O         0.5818184668        -3.145891973        0.9957441716    
O        -0.3172350428        -2.049195507        0.4732922568    
O         0.2111836813       -0.5602707798E-01    0.1017705091    
O          1.167200416        0.8564017412E-01   -0.6985783784E-01
O        -0.2599849052        0.6138153472       -0.3917923465    
O         0.7072110286       -0.6610248425         2.792145610    
O         0.1385173314        -1.428409928         2.911126656    
O         0.4119405189       -0.3162315530         1.932724562    
O          2.640384336        -2.384659480         1.518107168    
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O          2.901697775        0.9992803376E-01    0.6787018647E-01
O          3.071277712       -0.8207773581        0.3067746557    
O          3.098405633        0.5740385122        0.8881300887    
O          3.020383507        0.9366192953         2.812963015    
O          3.081021057         1.748351509         3.315614750    
O          2.207419469        0.5019515978         3.102472180    
    18
Energy=    -42.2118269503560    
O        -0.3156536046        -2.809278400         1.065698210    
O         0.5818120161        -3.145895708        0.9957483419    
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O         0.2111864278       -0.5603020894E-01    0.1017680477    
O          1.167203066        0.8563854970E-01   -0.6986026292E-01
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O         0.7072140273       -0.6610251851         2.792143506    
O         0.1385201236        -1.428410289         2.911123268    
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O          2.901698355        0.9993242872E-01    0.6787288241E-01
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O          3.098405698        0.5740425671        0.8881331228    
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O          3.081019612         1.748352596         3.315618457    
O          2.207420082        0.5019513663         3.102474358    
    18
Energy=    -42.2118269492665    
O        -0.3156581117        -2.809277289         1.065704720    
O         0.5818055944        -3.145899071        0.9957518579    
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O         0.2111877602       -0.5603374197E-01    0.1017646482    
O          1.167204676        0.8563696079E-01   -0.6986050091E-01
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O         0.7072168447       -0.6610249673         2.792142975    
O         0.1385218036        -1.428410080         2.911120440    
O         0.4119468893       -0.3162291145         1.932723129    
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O          2.901700855        0.9993650304E-01    0.6787477514E-01
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O          3.098405436        0.5740459832        0.8881362313    
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O          3.081017770         1.748353796         3.315622297    
O          2.207419806        0.5019519102         3.102474885    
    18
Energy=    -42.2118269478201    
O        -0.3156596392        -2.809276903         1.065706933    
O         0.5818031851        -3.145900352        0.9957534734    
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O         0.2111876352       -0.5603582121E-01    0.1017630947    
O          1.167204534        0.8563661858E-01   -0.6985973307E-01
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O         0.7072172940       -0.6610251597         2.792143013    
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O          2.901702899        0.9993826235E-01    0.6787520646E-01
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    18
Energy=    -42.2118269469519    
O        -0.3156607647        -2.809276250         1.065708744    
O         0.5818015250        -3.145901884        0.9957543381    
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O         0.2111880391       -0.5603675181E-01    0.1017624915    
O          1.167204867        0.8563622930E-01   -0.6986001031E-01
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O          2.901703271        0.9993937489E-01    0.6787587176E-01
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    18
Energy=    -42.2118269437841    
O        -0.3156654114        -2.809274605         1.065717235    
O         0.5817937059        -3.145907182        0.9957575288    
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O         0.2111905670       -0.5603965724E-01    0.1017598777    
O          1.167207325        0.8563438372E-01   -0.6986212580E-01
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O         0.7072202881       -0.6610253680         2.792142601    
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O          2.901704008        0.9994366617E-01    0.6787892355E-01
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O          3.081013152         1.748356883         3.315630352    
O          2.207419620        0.5019536750         3.102475799    
    18
Energy=    -42.2118269382936    
O        -0.3156701343        -2.809274538         1.065724708    
O         0.5817880200        -3.145908335        0.9957606869    
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O         0.2111952504       -0.5603997668E-01    0.1017567758    
O          1.167211477        0.8563553529E-01   -0.6986828067E-01
O        -0.2599776894        0.6137937442       -0.3918136508    
O         0.7072247552       -0.6610260800         2.792138658    
O         0.1385261366        -1.428408369         2.911116607    
O         0.4119578941       -0.3162288686         1.932718126    
O          2.640380899        -2.384667323         1.518082953    
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O          3.343494122        -2.730495041         2.069317490    
O          2.901704809        0.9994655589E-01    0.6788154258E-01
O          3.071292336       -0.8207585881        0.3067812149    
O          3.098404067        0.5740561080        0.8881442056    
O          3.020377566        0.9366324703         2.812971783    
O          3.081013423         1.748357735         3.315635113    
O          2.207419615        0.5019534575         3.102480916    
    18
Energy=    -42.2118269319649    
O        -0.3156812057        -2.809275376         1.065733653    
O         0.5817740279        -3.145916320        0.9957680336    
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O         0.2111970130       -0.5604782804E-01    0.1017512184    
O          1.167213509        0.8563406514E-01   -0.6986614727E-01
O        -0.2599755681        0.6137846914       -0.3918211519    
O         0.7072274458       -0.6610225577         2.792134805    
O         0.1385302096        -1.428406403         2.911114866    
O         0.4119582846       -0.3162284985         1.932714470    
O          2.640382870        -2.384664106         1.518071067    
O          2.106394998        -1.822050221         2.101481783    
O          3.343493058        -2.730499951         2.069304299    
O          2.901712684        0.9995186148E-01    0.6788348110E-01
O          3.071295837       -0.8207543602        0.3067812949    
O          3.098409450        0.5740584147        0.8881487227    
O          3.020380091        0.9366365881         2.812982578    
O          3.081006083         1.748363685         3.315643994    
O          2.207420534        0.5019552363         3.102483974    
    18
Energy=    -42.2118269286279    
O        -0.3156848732        -2.809274950         1.065737302    
O         0.5817686513        -3.145920257        0.9957703659    
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O         0.2111980452       -0.5605065983E-01    0.1017507746    
O          1.167214645        0.8563192945E-01   -0.6986527170E-01
O        -0.2599745198        0.6137798362       -0.3918244157    
O         0.7072265337       -0.6610215586         2.792134613    
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O          2.901712411        0.9995439948E-01    0.6788596001E-01
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O          3.098414515        0.5740596627        0.8881504788    
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O          3.081002274         1.748366172         3.315646252    
O          2.207421372        0.5019549461         3.102483938    
    18
Energy=    -42.2118265774960    
O        -0.3156219650        -2.809252426         1.065857849    
O         0.5818204465        -3.145933247        0.9958790018    
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O         0.2111740633       -0.5605656600E-01    0.1017066276    
O          1.167188754        0.8565504340E-01   -0.6989148110E-01
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O         0.7071100278       -0.6609524608         2.792157672    
O         0.1385008200        -1.428431003         2.910974702    
O         0.4118742480       -0.3160953748         1.932754682    
O          2.640376523        -2.384578623         1.518068070    
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O          3.343491311        -2.730330858         2.069352007    
O          2.901696509        0.1000435920        0.6785682477E-01
O          3.071303312       -0.8206774338        0.3066759669    
O          3.098387672        0.5740743039        0.8881677289    
O          3.020446434        0.9364220882         2.813033952    
O          3.081139409         1.748135376         3.315711763    
O          2.207443018        0.5018144621         3.102519669    
    18
Energy=    -42.2118264098519    
O        -0.3155785904        -2.809237292         1.065937548    
O         0.5818464053        -3.145948747        0.9959243134    
O        -0.3171577167        -2.049218365        0.4734518315    
O         0.2111061439       -0.5606349495E-01    0.1016392972    
O          1.167119341        0.8565451667E-01   -0.6994989703E-01
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O         0.1385087423        -1.428459766         2.910802043    
O         0.4117997403       -0.3159639739         1.932750614    
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O          2.106381252        -1.821831390         2.101450146    
O          3.343575278        -2.730140654         2.069427740    
O          2.901641568        0.1000375327        0.6783346223E-01
O          3.071267766       -0.8206822637        0.3066431005    
O          3.098366795        0.5740668828        0.8881358616    
O          3.020482286        0.9362919318         2.813066878    
O          3.081334373         1.747907298         3.315880738    
O          2.207440646        0.5017368406         3.102532160    
    18
Energy=    -42.2118260846157    
O        -0.3155581349        -2.809230936         1.065997817    
O         0.5818639725        -3.145951764        0.9959895153    
O        -0.3171488152        -2.049248170        0.4734655546    
O         0.2110409479       -0.5606517760E-01    0.1015826784    
O          1.167052539        0.8565129210E-01   -0.7000886481E-01
O        -0.2601597170        0.6135567256       -0.3922485051    
O         0.7069482083       -0.6608404996         2.792089159    
O         0.1384870483        -1.428484310         2.910598112    
O         0.4117777015       -0.3158497910         1.932719946    
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O          2.106435121        -1.821734023         2.101477977    
O          3.343689322        -2.729952490         2.069515765    
O          2.901571527        0.1000198528        0.6780694503E-01
O          3.071187017       -0.8206947237        0.3066480224    
O          3.098327918        0.5740743294        0.8880854681    
O          3.020529771        0.9361695295         2.813099629    
O          3.081543224         1.747675187         3.316072066    
O          2.207435961        0.5016841184         3.102524601    
    18
Energy=    -42.2118258428951    
O        -0.3155435408        -2.809224122         1.066037411    
O         0.5818751337        -3.145952632        0.9960253311    
O        -0.3171482013        -2.049257139        0.4734841007    
O         0.2109988861       -0.5606965215E-01    0.1015346205    
O          1.167011508        0.8565755371E-01   -0.7003758827E-01
O        -0.2601968330        0.6135591968       -0.3922921462    
O         0.7069242737       -0.6608337728         2.792045405    
O         0.1384588873        -1.428487013         2.910482556    
O         0.4117704946       -0.3158029146         1.932687855    
O          2.640494891        -2.384425481         1.518268303    
O          2.106444600        -1.821718354         2.101526430    
O          3.343766805        -2.729854391         2.069553049    
O          2.901545402        0.1000147383        0.6778619409E-01
O          3.071134783       -0.8206928361        0.3066761504    
O          3.098302879        0.5740918389        0.8880502191    
O          3.020539643        0.9361094463         2.813096032    
O          3.081666057         1.747544448         3.316166494    
O          2.207436111        0.5016587515         3.102541921    
    18
Energy=    -42.2118257786338    
O        -0.3155393549        -2.809224227         1.066050164    
O         0.5818781335        -3.145952322        0.9960261478    
O        -0.3171440715        -2.049259149        0.4734941274    
O         0.2109923233       -0.5606232051E-01    0.1015224082    
O          1.167005016        0.8565507605E-01   -0.7005696529E-01
O        -0.2602054122        0.6135658668       -0.3923035204    
O         0.7069104065       -0.6608290625         2.792044571    
O         0.1384526367        -1.428493141         2.910461856    
O         0.4117825453       -0.3158040248         1.932675567    
O          2.640490398        -2.384430888         1.518280688    
O          2.106450154        -1.821717316         2.101543026    
O          3.343781131        -2.729827601         2.069558356    
O          2.901532056        0.1000146847        0.6778693167E-01
O          3.071126632       -0.8206897307        0.3066835991    
O          3.098298829        0.5741035915        0.8880421056    
O          3.020539725        0.9360983448         2.813091637    
O          3.081694514         1.747518707         3.316183943    
O          2.207436116        0.5016511787         3.102547694    
    18
Energy=    -42.2118254242421    
O        -0.3154816400        -2.809202929         1.066093809    
O         0.5819404043        -3.145918241        0.9960598528    
O        -0.3171358308        -2.049278023        0.4734861237    
O         0.2109669655       -0.5606498217E-01    0.1014835975    
O          1.166977475        0.8566194085E-01   -0.7009560920E-01
O        -0.2602314020        0.6135624915       -0.3923423299    
O         0.7068651045       -0.6607893372         2.792049826    
O         0.1384791912        -1.428519265         2.910389801    
O         0.4117344509       -0.3157440551         1.932691582    
O          2.640500423        -2.384390592         1.518302984    
O          2.106446408        -1.821677880         2.101551726    
O          3.343795226        -2.729776605         2.069584514    
O          2.901514210        0.1000083777        0.6778049998E-01
O          3.071080029       -0.8207023043        0.3066745614    
O          3.098280483        0.5740782092        0.8880467999    
O          3.020556451        0.9360274681         2.813104055    
O          3.081767283         1.747422710         3.316225759    
O          2.207426547        0.5016206833         3.102544785    
    18
Energy=    -42.2118250888239    
O        -0.3154382651        -2.809213702         1.066105443    
O         0.5820056832        -3.145875187        0.9960860927    
O        -0.3171120936        -2.049285523        0.4735032878    
O         0.2109392560       -0.5604833704E-01    0.1015009878    
O          1.166954627        0.8566293286E-01   -0.7005196206E-01
O        -0.2602488222        0.6135413937       -0.3923957317    
O         0.7068269574       -0.6607666606         2.792045996    
O         0.1384647796        -1.428516408         2.910341487    
O         0.4116905693       -0.3156970893         1.932696962    
O          2.640487461        -2.384386882         1.518306894    
O          2.106485050        -1.821587696         2.101518560    
O          3.343773914        -2.729751724         2.069610924    
O          2.901478250        0.9999715623E-01    0.6778194748E-01
O          3.071090613       -0.8207187572        0.3066256378    
O          3.098291185        0.5740435531        0.8880489819    
O          3.020573665        0.9359660972         2.813120783    
O          3.081788693         1.747368935         3.316239288    
O          2.207430255        0.5015855652         3.102546758    
    18
Energy=    -42.2118250781823    
O        -0.3154270570        -2.809219059         1.066102786    
O         0.5820219063        -3.145871515        0.9960957559    
O        -0.3171112664        -2.049281983        0.4735112379    
O         0.2109312882       -0.5604166857E-01    0.1015055753    
O          1.166948903        0.8566703281E-01   -0.7004732023E-01
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O         0.7068220126       -0.6607618792         2.792044510    
O         0.1384585956        -1.428516776         2.910332517    
O         0.4116826960       -0.3156873790         1.932701066    
O          2.640483559        -2.384385691         1.518310858    
O          2.106487091        -1.821574014         2.101515282    
O          3.343770121        -2.729750149         2.069616852    
O          2.901476420        0.9999794762E-01    0.6777776912E-01
O          3.071097063       -0.8207174168        0.3066116182    
O          3.098288466        0.5740379861        0.8880495886    
O          3.020582136        0.9359541955         2.813125446    
O          3.081790881         1.747355581         3.316237765    
O          2.207428280        0.5015776218         3.102548535    
    18
Energy=    -42.2118226969671    
O        -0.3152947043        -2.809269047         1.066172456    
O         0.5822129820        -3.145773647        0.9961688744    
O        -0.3170263314        -2.049334515        0.4735839487    
O         0.2109243928       -0.5593212070E-01    0.1015036714    
O          1.166925723        0.8576830444E-01   -0.7012854215E-01
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O         0.7066947143       -0.6607177786         2.792131734    
O         0.1383758564        -1.428531792         2.910264808    
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O          2.640448856        -2.384355920         1.518386844    
O          2.106431265        -1.821575029         2.101585050    
O          3.343681158        -2.729785416         2.069740333    
O          2.901476208        0.1001373309        0.6769396319E-01
O          3.071181888       -0.8206035554        0.3063458482    
O          3.098247359        0.5740264663        0.8880651148    
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O          3.081854400         1.747209695         3.316137094    
O          2.207455076        0.5014011467         3.102627219    
    18
Energy=    -42.2118178714831    
O        -0.3151779730        -2.809167023         1.066396903    
O         0.5823233068        -3.145698629        0.9964579678    
O        -0.3168611433        -2.049372369        0.4736258761    
O         0.2108759867       -0.5604062380E-01    0.1013634199    
O          1.166877409        0.8577422525E-01   -0.7021056451E-01
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O         0.7064916230       -0.6606313984         2.792065837    
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O          3.343635953        -2.729670024         2.069830438    
O          2.901325310        0.1002712396        0.6771207866E-01
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O          3.098195214        0.5741727588        0.8880544635    
O          3.020751140        0.9353458951         2.813156942    
O          3.082149042         1.746759942         3.316235146    
O          2.207492654        0.5011397076         3.102557861    
    18
Energy=    -42.2118129178813    
O        -0.3151345277        -2.809114205         1.066330168    
O         0.5823818958        -3.145678610        0.9967117160    
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O         0.2108422646       -0.5615687466E-01    0.1013879491    
O          1.166835646        0.8571613339E-01   -0.7016598672E-01
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O         0.7064021966       -0.6605864590         2.792007981    
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O          2.901315262        0.1003256792        0.6774757314E-01
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O          3.082177961         1.746600724         3.316160673    
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    18
Energy=    -42.2117969963035    
O        -0.3149968142        -2.809190860         1.067316748    
O         0.5824994018        -3.145739712        0.9973938420    
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O          1.166381728        0.8563012487E-01   -0.7059342784E-01
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O          2.901006239        0.1004460526        0.6758334427E-01
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O          3.083638958         1.744756708         3.317825205    
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    18
Energy=    -42.2117598121768    
O        -0.3146572689        -2.809084162         1.068799155    
O         0.5826650274        -3.145924060        0.9979636474    
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O          2.900838824        0.1004563589        0.6721800105E-01
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O          3.085282249         1.742720427         3.320083066    
O          2.207399411        0.5000189571         3.102870751    
    18
Energy=    -42.2117400033290    
O        -0.3146791004        -2.809144980         1.069277171    
O         0.5826169750        -3.146007645        0.9982690981    
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O         0.2097125648       -0.5627946126E-01    0.9946914558E-01
O          1.165686844        0.8574629718E-01   -0.7181470930E-01
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O          3.345415947        -2.725924448         2.070839148    
O          2.900605908        0.1006563300        0.6711654108E-01
O          3.070350355       -0.8200562041        0.3058611086    
O          3.097687164        0.5745230144        0.8873950999    
O          3.021361082        0.9329063977         2.814225442    
O          3.086147624         1.741808724         3.320886345    
O          2.207318407        0.4997816626         3.103069675    
    18
Energy=    -42.2116277965729    
O        -0.3148119233        -2.808097382         1.070849424    
O         0.5815099051        -3.147511519        0.9999180976    
O        -0.3156698339        -2.049571479        0.4763778520    
O         0.2090503407       -0.5707130555E-01    0.9831775697E-01
O          1.164963581        0.8566221172E-01   -0.7256020192E-01
O        -0.2627344731        0.6095216364       -0.3990718640    
O         0.7031877368       -0.6584020971         2.791044201    
O         0.1380106755        -1.429788604         2.902140170    
O         0.4098263560       -0.3105228578         1.932333413    
O          2.641657081        -2.381490009         1.519649499    
O          2.107203628        -1.817719116         2.101419523    
O          3.346940908        -2.722184114         2.071332673    
O          2.899808016        0.1016763295        0.6712548583E-01
O          3.069653529       -0.8190551798        0.3057300737    
O          3.096984324        0.5752846441        0.8875269849    
O          3.022669567        0.9296899254         2.815062019    
O          3.089511618         1.737787455         3.322752526    
O          2.207720741        0.4981091286         3.103684704    
    18
Energy=    -42.2116209623471    
O        -0.3147390130        -2.808043228         1.070973229    
O         0.5815204218        -3.147576593        0.9998553165    
O        -0.3155947011        -2.049467627        0.4765618958    
O         0.2089620641       -0.5706904197E-01    0.9828615995E-01
O          1.164878077        0.8566769684E-01   -0.7256141809E-01
O        -0.2627927430        0.6092424356       -0.3994918388    
O         0.7031062140       -0.6583047000         2.791112288    
O         0.1380293852        -1.429781531         2.902099096    
O         0.4097231207       -0.3103042326         1.932463123    
O          2.641636394        -2.381426757         1.519686208    
O          2.107062712        -1.817550074         2.101259546    
O          3.347013923        -2.721848762         2.071410606    
O          2.899826858        0.1017072412        0.6706676150E-01
O          3.069685452       -0.8190265550        0.3056613093    
O          3.096990214        0.5753003462        0.8874777166    
O          3.022816238        0.9294678245         2.815193041    
O          3.089494883         1.737548224         3.322920997    
O          2.207862277        0.4977829998         3.103658301    
    18
Energy=    -42.2114309103187    
O        -0.3141853387        -2.807368840         1.072137762    
O         0.5817192816        -3.147538834        0.9996636085    
O        -0.3154776545        -2.049117969        0.4772992101    
O         0.2091619639       -0.5675067717E-01    0.9845778186E-01
O          1.165096452        0.8619203505E-01   -0.7230900879E-01
O        -0.2629632705        0.6068588818       -0.4025508624    
O         0.7026578115       -0.6577547339         2.791873532    
O         0.1375218254        -1.429369972         2.901902469    
O         0.4091635071       -0.3086619003         1.933761011    
O          2.641874695        -2.381353976         1.519632213    
O          2.106112415        -1.817259144         2.099911842    
O          3.347870879        -2.719060518         2.072239996    
O          2.899169061        0.1022059692        0.6683911731E-01
O          3.069492124       -0.8187514745        0.3041540252    
O          3.097100275        0.5749235244        0.8875809906    
O          3.023427627        0.9277540880         2.815750582    
O          3.089152412         1.735891304         3.323538467    
O          2.208587712        0.4954799039         3.103749601    
    18
Energy=    -42.2105428457546    
O        -0.3155243745        -2.806166319         1.075228269    
O         0.5784144805        -3.151413401         1.004150949    
O        -0.3119079734        -2.048677855        0.4794566603    
O         0.2086520463       -0.5728471888E-01    0.9655630703E-01
O          1.164463818        0.8655188927E-01   -0.7388693235E-01
O        -0.2642550147        0.6045217629       -0.4062162105    
O         0.6981756482       -0.6562667176         2.791127234    
O         0.1358740220        -1.430798479         2.894154968    
O         0.4070532834       -0.3038197175         1.933404556    
O          2.643542739        -2.378042287         1.521285947    
O          2.107511649        -1.814905157         2.102235777    
O          3.353566735        -2.710676112         2.071708355    
O          2.898626348        0.1041408669        0.6611202845E-01
O          3.068206524       -0.8172192545        0.3023580875    
O          3.095586500        0.5746852129        0.8882627508    
O          3.024363440        0.9208448118         2.816856941    
O          3.095497185         1.728366892         3.324946023    
O          2.207634723        0.4924762499         3.105890627    
    18
Energy=    -42.2103044152712    
O        -0.3156699000        -2.806304073         1.076936383    
O         0.5776877724        -3.153202434         1.005223444    
O        -0.3122151438        -2.049519654        0.4801443689    
O         0.2078938664       -0.5734044862E-01    0.9554254187E-01
O          1.163705086        0.8682730338E-01   -0.7469012256E-01
O        -0.2647237782        0.6046760328       -0.4069918089    
O         0.6971418672       -0.6554581451         2.790838597    
O         0.1347972603        -1.430872126         2.889953977    
O         0.4078812613       -0.3022535323         1.933132587    
O          2.644264164        -2.377742433         1.522178430    
O          2.108241592        -1.814390454         2.102625795    
O          3.355518230        -2.707627544         2.072940615    
O          2.898460077        0.1042169470        0.6521115357E-01
O          3.067237221       -0.8171489904        0.3021482622    
O          3.095047112        0.5756777911        0.8869929796    
O          3.024452276        0.9200214505         2.816911138    
O          3.098075587         1.724830824         3.328466787    
O          2.207687229        0.4919271526         3.106067208    
    18
Energy=    -42.2011798629993    
O        -0.3106246837        -2.803920692         1.097058251    
O         0.5810633707        -3.153111448         1.014497398    
O        -0.3175415862        -2.055964077        0.4887871987    
O         0.1976565171       -0.6017047520E-01    0.8189650958E-01
O          1.154046255        0.8342390298E-01   -0.8571576953E-01
O        -0.2733225768        0.6022582074       -0.4205676184    
O         0.6920045764       -0.6506793680         2.780319038    
O         0.1404078201        -1.437541078         2.857075851    
O         0.4025662340       -0.2863908100         1.927755641    
O          2.648795815        -2.369255917         1.529218598    
O          2.111061259        -1.797316450         2.099238715    
O          3.362695134        -2.681917533         2.087113922    
O          2.890153727        0.1014057872        0.6154467067E-01
O          3.061285426       -0.8174220899        0.3075601259    
O          3.093258152        0.5823970305        0.8761430886    
O          3.028554927        0.9087496128         2.821230595    
O          3.125717999         1.688031612         3.367377341    
O          2.207703413        0.4837414503         3.103098782    
    18
Energy=    -42.1875560675869    
O        -0.3003680353        -2.805446035         1.110925609    
O         0.5985107946        -3.138091259         1.038274505    
O        -0.3148039619        -2.059819549        0.5003153561    
O         0.1848068388       -0.6442074905E-01    0.6731953866E-01
O          1.140438861        0.8350991741E-01   -0.9668646878E-01
O        -0.2881808572        0.5724309073       -0.4665490693    
O         0.6691844666       -0.6350588303         2.776956439    
O         0.1339455972        -1.435804102         2.824428208    
O         0.3877108066       -0.2585428987         1.927399398    
O          2.650480035        -2.353934345         1.541299378    
O          2.122037590        -1.770226070         2.108168768    
O          3.372520168        -2.659326203         2.092065710    
O          2.878922091        0.1165237585        0.5965902496E-01
O          3.059693320       -0.8036366101        0.2913812927    
O          3.077386071        0.5841760416        0.8827573705    
O          3.042178487        0.8660572974         2.832348157    
O          3.172075343         1.632589112         3.389607056    
O          2.208944163        0.4653372850         3.113962064    
    18
Energy=    -42.1556666756577    
O        -0.2757260537        -2.797852406         1.122532073    
O         0.6163081908        -3.151308769         1.062055221    
O        -0.2682696445        -2.056797548        0.5057277916    
O         0.1737711785       -0.6187568545E-01    0.6136459049E-01
O          1.127902729        0.9442734417E-01   -0.9942277198E-01
O        -0.3056341445        0.5423303455       -0.5050863165    
O         0.6538876108       -0.6033829680         2.777888037    
O         0.1315671935        -1.412615697         2.818638633    
O         0.3644823769       -0.2243147823         1.932276361    
O          2.646052323        -2.349991348         1.534138018    
O          2.113442058        -1.766336341         2.096162996    
O          3.377091046        -2.634661189         2.084775905    
O          2.866712270        0.1198665555        0.6311428998E-01
O          3.040640133       -0.8041951316        0.2849258110    
O          3.080635696        0.5785895124        0.8873979223    
O          3.056719817        0.8317145069         2.846841168    
O          3.185406679         1.591110582         3.412753319    
O          2.210492321        0.4416106880         3.107549289    
    18
Energy=    -42.1465295323323    
O        -0.2847716049        -2.792991584         1.126600947    
O         0.5939146334        -3.175448702         1.051474879    
O        -0.2635290762        -2.049633260        0.5126836222    
O         0.1730012570       -0.6850667312E-01    0.5666194586E-01
O          1.127837317        0.8982661847E-01   -0.1011846251    
O        -0.3048816598        0.5335361299       -0.5120339113    
O         0.6479428250       -0.5964290813         2.776582763    
O         0.1313158327        -1.409809059         2.817060758    
O         0.3576328489       -0.2167653981         1.931888720    
O          2.656661460        -2.343661447         1.539044976    
O          2.105043297        -1.765935607         2.088228754    
O          3.399941308        -2.584204660         2.095192133    
O          2.868627906        0.1204170397        0.5934015496E-01
O          3.035611640       -0.8028642161        0.2901519574    
O          3.076864649        0.5824664458        0.8830577457    
O          3.060064607        0.8197437501         2.845620001    
O          3.199678716         1.566742116         3.426855215    
O          2.214525822        0.4298352537         3.106406302    
    18
Energy=    -42.1238988835655    
O        -0.2895814958        -2.788527281         1.132439955    
O         0.5762350781        -3.193227871         1.039804585    
O        -0.2626220821        -2.044963321        0.5177319579    
O         0.1755308623       -0.7459507733E-01    0.5136805259E-01
O          1.130374465        0.8844588514E-01   -0.1033881381    
O        -0.3040972602        0.5277177530       -0.5156568793    
O         0.6455307948       -0.5952581025         2.777369442    
O         0.1245678442        -1.405876421         2.814239626    
O         0.3531906004       -0.2154432010         1.933851040    
O          2.660768954        -2.346940434         1.545219329    
O          2.105803767        -1.760458331         2.081308446    
O          3.415328483        -2.545169890         2.102738940    
O          2.864263820        0.1199218880        0.5925970254E-01
O          3.034370324       -0.8023284940        0.2926183559    
O          3.075350595        0.5892663985        0.8778691395    
O          3.062735467        0.8122765327         2.844554156    
O          3.210165470         1.549583685         3.435816687    
O          2.217566092        0.4218939475         3.106487942    
    18
Energy=    -42.0377232409282    
O        -0.3375525969        -2.772876396         1.137796323    
O         0.4919796330        -3.241949222         1.024200222    
O        -0.2760550344        -2.037570839        0.5160471923    
O         0.1828289873       -0.9243579588E-01    0.3708359246E-01
O          1.135413661        0.8107559275E-01   -0.1195405075    
O        -0.3039201392        0.5023400582       -0.5317734842    
O         0.6287990506       -0.6134256442         2.779651630    
O         0.1098560918        -1.427021991         2.798636494    
O         0.3571159045       -0.2257518396         1.932929297    
O          2.694901350        -2.305883229         1.578702268    
O          2.097370201        -1.738779788         2.090749423    
O          3.475451209        -2.403820220         2.124886609    
O          2.867450881        0.1262803511        0.4330272194E-01
O          3.029444508       -0.7916010667        0.3005363958    
O          3.078669528        0.6069244165        0.8548652456    
O          3.076154833        0.7757804177         2.848785128    
O          3.263823773         1.488266068         3.458294662    
O          2.223749938        0.4067667937         3.118479124    
    18
Energy=    -41.9876522367577    
O        -0.3550965572        -2.764559711         1.128578565    
O         0.4616738597        -3.255752595         1.033001427    
O        -0.2672604528        -2.036886495        0.5011493922    
O         0.1850681613       -0.9201092522E-01    0.4635367115E-01
O          1.137289045        0.8225642220E-01   -0.1120850553    
O        -0.3038516266        0.4856544211       -0.5381178547    
O         0.6318804401       -0.6181815071         2.776403624    
O         0.1145508570        -1.433754547         2.797948232    
O         0.3549059377       -0.2338927529         1.929945420    
O          2.707954372        -2.268589184         1.578941414    
O          2.093587592        -1.734091738         2.102883328    
O          3.483479088        -2.363657786         2.135180540    
O          2.869249554        0.1285533992        0.3610354243E-01
O          3.017527310       -0.7921710090        0.2969958520    
O          3.086795302        0.6038086371        0.8485594969    
O          3.083303118        0.7531939563         2.856251162    
O          3.272427987         1.474498889         3.455230574    
O          2.221997791        0.4019001907         3.120309007    
    18
Energy=    -41.8051521290218    
O        -0.2483569156        -2.708336874         1.191916005    
O         0.3591195734        -3.388759325        0.8979654987    
O        -0.1753402465        -2.004841068        0.5336096405    
O         0.1869094308       -0.1038389985        0.4789431121E-01
O          1.142054556        0.7364247207E-01   -0.9878223149E-01
O        -0.2969843292        0.4619454107       -0.5519286481    
O         0.5741188604       -0.5043533740         2.826168056    
O         0.1131290082        -1.348187284         2.883470796    
O         0.2957487587       -0.1765178783         1.957399105    
O          2.788351986        -2.295664688         1.566794000    
O          2.018491083        -1.890968086         1.987015677    
O          3.501673458        -2.137182415         2.188228063    
O          2.858691792        0.1233091554        0.4042590029E-01
O          3.026357164       -0.7968833833        0.2892497629    
O          3.071531998        0.5921860866        0.8587154127    
O          3.096594960        0.6911944210         2.846378068    
O          3.262170793         1.408120864         3.457514830    
O          2.221219848        0.3414526304         3.071598089    
    18
Energy=    -41.8426508195530    
O        -0.1986341836        -2.694907385         1.210544007    
O         0.3237012863        -3.412555664        0.8651812099    
O        -0.1535944590        -1.997558651        0.5408637404    
O         0.1867886076       -0.1077445500        0.4797764493E-01
O          1.142813141        0.7048315321E-01   -0.9513443413E-01
O        -0.2952341371        0.4570303379       -0.5543301001    
O         0.5534385845       -0.4674229109         2.842133320    
O         0.1192619370        -1.323960666         2.906061963    
O         0.2810562547       -0.1612786768         1.964052262    
O          2.816604304        -2.299085927         1.563337511    
O          2.001767843        -1.957752816         1.946868381    
O          3.492352692        -2.078050845         2.204340981    
O          2.855416051        0.1220559233        0.4056470615E-01
O          3.027761243       -0.7979023558        0.2880605257    
O          3.067488735        0.5897038020        0.8598314903    
O          3.097384274        0.6740996657         2.845152007    
O          3.260568579         1.390933910         3.457204856    
O          2.216541026        0.3302313221         3.060922268    
    18
Energy=    -42.1040510093476    
O        -0.1117301102        -2.661049299         1.240973455    
O         0.2776095559        -3.445559232        0.8262140311    
O        -0.1317052592        -1.985035822        0.5461276743    
O         0.1855314236       -0.1128881334        0.5123547479E-01
O          1.142291158        0.6266243562E-01   -0.8965346345E-01
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O         0.5207848735       -0.4109075095         2.865408930    
O         0.1395772603        -1.291088245         2.934921815    
O         0.2626355836       -0.1413527517         1.968827585    
O          2.866778481        -2.294336108         1.539183177    
O          1.991647981        -2.083499221         1.890346890    
O          3.448114110        -1.998507947         2.239056297    
O          2.851010501        0.1225305529        0.3897977746E-01
O          3.026880512       -0.8015943933        0.2875203875    
O          3.063712942        0.5861186351        0.8576863234    
O          3.092690256        0.6466166594         2.845353008    
O          3.261509411         1.367648017         3.455457894    
O          2.202018672        0.3252743725         3.052572576    
    18
Energy=    -43.3176929338548    
O         0.3933065854E-01    -2.637570625         1.265204776    
O         0.1915295400        -3.464888880        0.7802237853    
O        -0.8903783695E-01    -1.968807069        0.5637494350    
O         0.1808434317       -0.1210979196        0.5470969938E-01
O          1.143080324        0.4992565978E-01   -0.7996307644E-01
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O         0.4632243217       -0.3161794193         2.901632353    
O         0.1753289796        -1.231598970         2.983344318    
O         0.2325589059       -0.1080555268         1.982254817    
O          2.931599428        -2.271748542         1.540191065    
O          1.985864612        -2.306687184         1.765022810    
O          3.382256348        -1.869044024         2.283445916    
O          2.842867530        0.1183249557        0.3343023129E-01
O          3.024567062       -0.8034932590        0.2865942162    
O          3.057322806        0.5814032010        0.8565075219    
O          3.086111681        0.6032231181         2.849195281    
O          3.263845832         1.325947763         3.450590216    
O          2.174759655        0.3155139125         3.036737692    
    18
Energy=    -44.8776917647623    
O         0.2474717752        -2.665959977         1.228513393    
O         0.2648801016E-01    -3.469271539        0.7538470506    
O         0.2498927279E-01    -1.931933463        0.6338062277    
O         0.1766283154       -0.1345534779        0.6373759376E-01
O          1.142288829        0.3098152383E-01   -0.6414839812E-01
O        -0.2849882438        0.4243037678       -0.5584516767    
O         0.3933558257       -0.1909279462         2.939198174    
O         0.2268195793        -1.130000556         3.056298890    
O         0.1744281842       -0.3922054795E-01     2.008849751    
O          3.034941344        -2.282735788         1.544263088    
O          2.101660763        -2.530210526         1.593603390    
O          3.189239772        -1.721419287         2.309584947    
O          2.821092066        0.1045993309        0.3316928295E-01
O          3.022887168       -0.8103493893        0.2894268532    
O          3.040954964        0.5806290464        0.8453489950    
O          3.063119852        0.5332322371         2.852346091    
O          3.269417759         1.249753532         3.447806119    
O          2.124686542        0.3194007257         3.016432566    
    18
Energy=    -44.9796347311143    
O         0.2527971476        -2.671010812         1.228333537    
O         0.5779677324E-02    -3.465343420        0.7518892639    
O         0.4877936988E-01    -1.934281916        0.6385548074    
O         0.1769598986       -0.1341626931        0.6916834592E-01
O          1.142841698        0.2789443730E-01   -0.6233802348E-01
O        -0.2861374277        0.4201056150       -0.5569576237    
O         0.3955082814       -0.1813490057         2.939763144    
O         0.2283849943        -1.118862348         3.060118380    
O         0.1625452105       -0.2986352019E-01     2.012135667    
O          3.052211479        -2.285785552         1.551298790    
O          2.118794716        -2.539343892         1.567976215    
O          3.173342030        -1.709173542         2.308703037    
O          2.815095066        0.1022717259        0.3539087217E-01
O          3.026087005       -0.8137657458        0.2906868041    
O          3.039286513        0.5801796866        0.8415264243    
O          3.055461074        0.5256051778         2.853073623    
O          3.273796979         1.237346709         3.448517539    
O          2.113948065        0.3258567624         3.015791535    
    18
Energy=    -45.0955453527227    
O         0.2384969098        -2.676803489         1.236547466    
O        -0.7125989850E-02    -3.462389131        0.7519221754    
O         0.6955902616E-01    -1.935624627        0.6326867519    
O         0.1776949109       -0.1323964936        0.7694926253E-01
O          1.142942490        0.2651147120E-01   -0.6035104468E-01
O        -0.2883544507        0.4142684109       -0.5544247605    
O         0.4051430536       -0.1801297720         2.934796334    
O         0.2242467188        -1.115653058         3.057774375    
O         0.1514055489       -0.2287450069E-01     2.014294881    
O          3.066271168        -2.289317451         1.556017399    
O          2.129988808        -2.528624195         1.550389310    
O          3.174829370        -1.705004010         2.307801059    
O          2.809320256        0.9470838635E-01    0.3582319496E-01
O          3.032151011       -0.8147879169        0.2922568855    
O          3.038879978        0.5799380851        0.8400212726    
O          3.044981986        0.5208614883         2.851990165    
O          3.281962119         1.228072119         3.452257327    
O          2.103088865        0.3355623494         3.016880285    
    18
Energy=    -45.2670355707517    
O         0.2219228563        -2.664629774         1.233293282    
O        -0.3018040980E-01    -3.464148286        0.7719082011    
O         0.8133203886E-01    -1.928188973        0.6157190824    
O         0.1764411945       -0.1335921207        0.9493919913E-01
O          1.140917043        0.3316270162E-01   -0.4049300888E-01
O        -0.2968043458        0.3880716943       -0.5505669730    
O         0.3914033859       -0.1826348792         2.928211611    
O         0.2108959152        -1.120606184         3.039880706    
O         0.1352307689       -0.1205975364E-01     2.010272728    
O          3.081383703        -2.273693590         1.539773960    
O          2.144684923        -2.511375166         1.552416619    
O          3.209218494        -1.697377038         2.299304876    
O          2.820275769        0.7958470812E-01    0.3170086130E-01
O          3.058671441       -0.8243609481        0.2971783595    
O          3.027485060        0.5718285062        0.8384975582    
O          3.030569803        0.5249427424         2.843889834    
O          3.306602330         1.192865470         3.468846014    
O          2.085431808        0.3585285577         3.018859426    
    18
Energy=    -45.3647909259022    
O         0.2668115823        -2.666751245         1.221908891    
O        -0.7439585361E-01    -3.446313415        0.7850076015    
O         0.9664714327E-01    -1.926196176        0.6202388986    
O         0.1766775136       -0.1354891753        0.1086538621    
O          1.140903555        0.2840442809E-01   -0.3137780890E-01
O        -0.2974450763        0.3679436092       -0.5515204842    
O         0.3578601757       -0.1577900200         2.937174925    
O         0.2131907264        -1.102709231         3.037036895    
O         0.1151023166        0.3212055574E-02     2.013918855    
O          3.106661891        -2.264462570         1.535361628    
O          2.182033112        -2.543146065         1.532388103    
O          3.189657300        -1.668847613         2.286222679    
O          2.822180664        0.7378416034E-01    0.2885022564E-01
O          3.068226427       -0.8284988861        0.2972091640    
O          3.021416730        0.5671584890        0.8356171945    
O          3.017735063        0.5131669449         2.837372249    
O          3.320838303         1.152982195         3.482114720    
O          2.071380205        0.3698701806         3.017454738    
    18
Energy=    -45.5688476349286    
O         0.3026386182        -2.650288082         1.242400743    
O        -0.1331585138        -3.414950852        0.8671549313    
O         0.1123625253        -1.913434584        0.6402419346    
O         0.1796794107       -0.1474334307        0.9706353506E-01
O          1.145070589        0.2037502924E-01   -0.2991988160E-01
O        -0.2790426746        0.3287248452       -0.5931991083    
O         0.2959020830       -0.1332779752         2.952551175    
O         0.1841396586        -1.087286654         3.004417114    
O         0.6279588292E-01    0.5729954002E-01     2.033288243    
O          3.173904143        -2.257570347         1.524295192    
O          2.251931199        -2.545193957         1.531741536    
O          3.241088567        -1.618551891         2.242083638    
O          2.818114473        0.8861271707E-01    0.3024153820E-02
O          3.062744208       -0.8177328652        0.2571493998    
O          3.028013254        0.5722864452        0.8118842189    
O          2.978919842        0.4673642093         2.840705869    
O          3.340994077         1.018131632         3.533744223    
O          2.029384437        0.3692438875         3.035005420    
    18
Energy=    -45.5879026446997    
O         0.3003724346        -2.647967140         1.247901707    
O        -0.1300109481        -3.415916274        0.8720703245    
O         0.1125403656        -1.912468481        0.6436873370    
O         0.1789676918       -0.1482619228        0.9313635522E-01
O          1.142970386        0.2292356899E-01   -0.3326484943E-01
O        -0.2761357923        0.3298448376       -0.5979758948    
O         0.2960185077       -0.1340164288         2.952047638    
O         0.1827136436        -1.087895266         3.003931740    
O         0.6197399511E-01    0.6039466496E-01     2.033916252    
O          3.175326022        -2.255573873         1.521613101    
O          2.253012993        -2.542957082         1.535347464    
O          3.242507471        -1.619301339         2.240988115    
O          2.816889519        0.9027744221E-01    0.1251633900E-02
O          3.063471292       -0.8156313543        0.2547163217    
O          3.028202512        0.5727898957        0.8101406760    
O          2.978755316        0.4629623693         2.843033135    
O          3.339038119         1.014602633         3.536060159    
O          2.028868251        0.3625114163         3.035031122    
    18
Energy=    -45.7837567197536    
O         0.3070946537        -2.613864794         1.320257605    
O        -0.1310446471        -3.390403546        0.9739158219    
O         0.1264620085        -1.904141329        0.6830554061    
O         0.1724276622       -0.1308662476        0.6424630743E-01
O          1.139398953        0.1745330820E-01   -0.6585481991E-01
O        -0.2693473490        0.3021290524       -0.6645406013    
O         0.2615360970       -0.1190143781         2.952668211    
O         0.1504797402        -1.075222511         2.962923580    
O         0.2005185710E-01    0.1089831921         2.044828348    
O          3.214213160        -2.227014458         1.493188062    
O          2.302244368        -2.537712400         1.543920932    
O          3.289330306        -1.581889063         2.206250767    
O          2.816445031        0.1130465938       -0.2218739728E-01
O          3.073253382       -0.7933137815        0.2175948729    
O          3.028790613        0.5870504304        0.7914252913    
O          2.963349798        0.3878006631         2.862430558    
O          3.322604840        0.8948021723         3.588235932    
O          2.008191305        0.2984947622         3.041273460    
    18
Energy=    -45.8650527855059    
O         0.3174692338        -2.585825545         1.361339531    
O        -0.1268432265        -3.372101093         1.044476744    
O         0.1342385766        -1.891636793        0.7078206303    
O         0.1698126918       -0.1348784451        0.5134951749E-01
O          1.132974142        0.3185028595E-01   -0.7903665845E-01
O        -0.2796648524        0.2693598591       -0.6894479025    
O         0.2476427380       -0.1105775671         2.939214219    
O         0.1340145132        -1.067221795         2.924853649    
O         0.6467375055E-02    0.1394201643         2.037258392    
O          3.233339629        -2.215095683         1.474895777    
O          2.322007403        -2.526894413         1.533687326    
O          3.307662313        -1.564770198         2.183589169    
O          2.818576393        0.1214456024       -0.2529759598E-01
O          3.089149848       -0.7814973214        0.2151752707    
O          3.021351815        0.6000143130        0.7875631678    
O          2.957682593        0.3418822947         2.873185818    
O          3.311193945        0.8230633061         3.620398633    
O          1.998406648        0.2597806950         3.032606650    
    18
Energy=    -45.8901413311477    
O         0.3215896791        -2.582619332         1.364353935    
O        -0.1224864189        -3.370290356         1.051640812    
O         0.1372089263        -1.888905067        0.7100164696    
O         0.1673471280       -0.1418260780        0.5335344263E-01
O          1.129993809        0.2614011026E-01   -0.8074237838E-01
O        -0.2860827726        0.2612471610       -0.6852432162    
O         0.2550988915       -0.1085284674         2.929790645    
O         0.1420526274        -1.065264177         2.913170647    
O         0.1968760272E-01    0.1422899477         2.026333490    
O          3.229095652        -2.222308276         1.474558858    
O          2.312251816        -2.520629335         1.518488198    
O          3.304189856        -1.576052040         2.186822175    
O          2.816294040        0.1282280463       -0.1524427296E-01
O          3.078689895       -0.7767511115        0.2269021076    
O          3.024132198        0.6079684874        0.7958082458    
O          2.959168877        0.3442417602         2.872685269    
O          3.308330839        0.8221487434         3.623461171    
O          1.998919133        0.2572276513         3.027476737    
    18
Energy=    -45.9067674014784    
O         0.3277891826        -2.577320000         1.370857433    
O        -0.1176623341        -3.368131667         1.067924271    
O         0.1371773382        -1.887853249        0.7137839596    
O         0.1658965099       -0.1478307918        0.4984293372E-01
O          1.127965084        0.2732918676E-01   -0.8186668936E-01
O        -0.2941677942        0.2491514074       -0.6880640069    
O         0.2611600112       -0.1044666336         2.919104114    
O         0.1493954142        -1.061473300         2.897738809    
O         0.2875177099E-01    0.1485780244         2.015537172    
O          3.221732792        -2.219458598         1.462847606    
O          2.305490240        -2.520120355         1.510709185    
O          3.303740587        -1.587167814         2.186575882    
O          2.808759734        0.1324661984       -0.4662915260E-02
O          3.079716217       -0.7699358798        0.2390334259    
O          3.020518587        0.6161129161        0.8030515627    
O          2.963038860        0.3384492278         2.876755314    
O          3.305089188        0.8139788283         3.632675688    
O          2.001090388        0.2540101662         3.021788593    
    18
Energy=    -45.9119734543651    
O         0.3272696191        -2.577988546         1.371332363    
O        -0.1180892187        -3.370351074         1.070813126    
O         0.1371577216        -1.889844734        0.7130991070    
O         0.1640746963       -0.1484085996        0.4897226250E-01
O          1.125731100        0.2773828998E-01   -0.8271641776E-01
O        -0.2926709725        0.2471603231       -0.6914276954    
O         0.2625570426       -0.1026739495         2.917003739    
O         0.1527269837        -1.059647554         2.895858199    
O         0.2889970249E-01    0.1499201558         2.013366045    
O          3.219808140        -2.219164969         1.459335567    
O          2.304422033        -2.522030502         1.510452470    
O          3.304233339        -1.589768407         2.185349088    
O          2.810103743        0.1346335662       -0.3296167576E-02
O          3.077849304       -0.7689205070        0.2416077710    
O          3.015371458        0.6187787097        0.8054396512    
O          2.966451733        0.3374793046         2.880850894    
O          3.306347717        0.8142539500         3.636297620    
O          2.003237637        0.2551522090         3.021294716    
    18
Energy=    -45.9307458008270    
O         0.3219854030        -2.586198348         1.374333882    
O        -0.1298322010        -3.379103333         1.088437208    
O         0.1297991489        -1.905638975        0.7079571498    
O         0.1542663020       -0.1611187998        0.2706372297E-01
O          1.116179251        0.2718189419E-01   -0.8393476867E-01
O        -0.2914033323        0.2319004177       -0.7224818587    
O         0.2729674829       -0.8998970761E-01     2.904972556    
O         0.1650695968        -1.047727349         2.885809720    
O         0.2947851370E-01    0.1610919169         2.004273127    
O          3.218281767        -2.219981505         1.447264526    
O          2.304117242        -2.524510072         1.503635009    
O          3.312551392        -1.601322895         2.181536547    
O          2.798024232        0.1528049682        0.1037308801E-01
O          3.064539520       -0.7521851023        0.2506845345    
O          3.004550465        0.6317896082        0.8216374235    
O          2.983657756        0.3312854460         2.900883811    
O          3.322055234        0.8083322180         3.657814644    
O          2.019194007        0.2597072847         3.033372015    
    18
Energy=    -45.9325619279083    
O         0.3223634389        -2.585398832         1.374331025    
O        -0.1293957575        -3.378908964         1.087495474    
O         0.1301667896        -1.905443039        0.7082718278    
O         0.1551435208       -0.1598413486        0.2808285897E-01
O          1.117123265        0.2706039486E-01   -0.8445593137E-01
O        -0.2913937410        0.2324335024       -0.7207921509    
O         0.2729501831       -0.9075307008E-01     2.905370919    
O         0.1646352300        -1.048045919         2.886334982    
O         0.2889384696E-01    0.1606650722         2.004608900    
O          3.218494877        -2.219805287         1.447652168    
O          2.303977634        -2.524438081         1.504298914    
O          3.311894705        -1.601076316         2.181382106    
O          2.797205802        0.1514758414        0.1018459662E-01
O          3.065610608       -0.7526890244        0.2500834172    
O          3.005330944        0.6314244228        0.8208419995    
O          2.982834356        0.3315877080         2.899999999    
O          3.321131131        0.8086167219         3.656792773    
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    18
Energy=    -45.9339689412952    
O         0.3209934288        -2.585985196         1.373596464    
O        -0.1335307134        -3.380037746         1.091778022    
O         0.1270742049        -1.907862529        0.7064119285    
O         0.1524173754       -0.1624840188        0.2367672948E-01
O          1.114389108        0.2572716761E-01   -0.8657776550E-01
O        -0.2920368343        0.2261476757       -0.7280550813    
O         0.2752245908       -0.8918895653E-01     2.903194320    
O         0.1646901217        -1.045996227         2.883699131    
O         0.2952828252E-01    0.1633995374         2.003065632    
O          3.219172070        -2.217604973         1.445407484    
O          2.305231054        -2.524216084         1.503725015    
O          3.313635976        -1.601786424         2.181156109    
O          2.793202396        0.1551458145        0.1495948760E-01
O          3.065036456       -0.7488867036        0.2507634297    
O          3.004773913        0.6342445834        0.8254095618    
O          2.986679245        0.3302430054         2.903877821    
O          3.326867300        0.8051817338         3.661012598    
O          2.022133804        0.2602770067         3.036531450    
    18
Energy=    -45.9351090357104    
O         0.3206157230        -2.585855171         1.373422106    
O        -0.1344104148        -3.379743181         1.093616981    
O         0.1263765671        -1.907714511        0.7057393441    
O         0.1513593897       -0.1630336159        0.2323978240E-01
O          1.113153924        0.2522900639E-01   -0.8695775498E-01
O        -0.2930121903        0.2231692483       -0.7301366174    
O         0.2755557100       -0.8879763131E-01     2.902310461    
O         0.1647778356        -1.045826733         2.882020360    
O         0.3056014975E-01    0.1642478232         2.002356976    
O          3.218716770        -2.216749933         1.444588170    
O          2.305431116        -2.524379404         1.503320854    
O          3.313988107        -1.601276566         2.180944228    
O          2.794254005        0.1564996466        0.1556229141E-01
O          3.065140501       -0.7478477390        0.2521804701    
O          3.002807823        0.6347331948        0.8270740445    
O          2.988202888        0.3294884347         2.905061575    
O          3.328463104        0.8037091364         3.662783216    
O          2.023500770        0.2604656611         3.036505848    
    18
Energy=    -45.9352049320541    
O         0.3206289807        -2.585750810         1.373435803    
O        -0.1344983616        -3.379695349         1.093723689    
O         0.1263276026        -1.907748406        0.7057147362    
O         0.1512985834       -0.1630598905        0.2323727135E-01
O          1.113078597        0.2520037183E-01   -0.8700016331E-01
O        -0.2931101438        0.2228985931       -0.7302717730    
O         0.2755893825       -0.8876646511E-01     2.902219076    
O         0.1647892831        -1.045840139         2.881865732    
O         0.3064586939E-01    0.1643167540         2.002310920    
O          3.218699004        -2.216693558         1.444526089    
O          2.305446320        -2.524358372         1.503311652    
O          3.313961129        -1.601226683         2.180903496    
O          2.794333559        0.1565830881        0.1558974325E-01
O          3.065177701       -0.7477570207        0.2523164774    
O          3.002624608        0.6347598409        0.8271939794    
O          2.988326359        0.3294147145         2.905116138    
O          3.328535284        0.8035661885         3.662920460    
O          2.023628021        0.2604748093         3.036519010    
    18
Energy=    -45.9375534131562    
O         0.3201742467        -2.582856300         1.375360985    
O        -0.1389039126        -3.375837687         1.099136235    
O         0.1267278039        -1.905937835        0.7062884717    
O         0.1504836033       -0.1653704280        0.2155250138E-01
O          1.111777611        0.2485783798E-01   -0.9065003184E-01
O        -0.2967666247        0.2091660086       -0.7358930703    
O         0.2793814770       -0.8872038994E-01     2.898694889    
O         0.1673747220        -1.045619635         2.873489309    
O         0.3315700027E-01    0.1689787597         2.000456666    
O          3.219218046        -2.215146544         1.444724488    
O          2.305388086        -2.521583153         1.501550463    
O          3.312370158        -1.597254130         2.179330331    
O          2.791363442        0.1590866699        0.1855204067E-01
O          3.066829277       -0.7436832913        0.2559505842    
O          2.996399649        0.6385561432        0.8301862802    
O          2.991564916        0.3262943103         2.907508997    
O          3.332122226        0.7943485038         3.668894445    
O          2.026820051        0.2570388267         3.038498754    
    18
Energy=    -45.9389015864740    
O         0.3215285655        -2.580395700         1.378208846    
O        -0.1423743914        -3.371474575         1.104710236    
O         0.1286008183        -1.903638736        0.7086717334    
O         0.1486119975       -0.1689292873        0.1774683027E-01
O          1.109349610        0.2375731353E-01   -0.9243441956E-01
O        -0.2960504639        0.2007179122       -0.7438564202    
O         0.2806681964       -0.8889609568E-01     2.898682314    
O         0.1715816116        -1.046099406         2.866555807    
O         0.3321178473E-01    0.1741032823         2.002547300    
O          3.219457847        -2.211321822         1.443585305    
O          2.307141520        -2.521251473         1.502094322    
O          3.311880306        -1.594526726         2.179525042    
O          2.790100385        0.1621303721        0.1769388697E-01
O          3.063323278       -0.7409673238        0.2568567077    
O          2.995662954        0.6431988074        0.8282470883    
O          2.992296898        0.3217221420         2.910090814    
O          3.333257250        0.7834892459         3.675260355    
O          2.027233613        0.2546997352         3.039446588    
    18
Energy=    -45.9393336764574    
O         0.3222508934        -2.579265151         1.379534921    
O        -0.1438085570        -3.369830727         1.108114838    
O         0.1293733684        -1.903133420        0.7093721833    
O         0.1480556793       -0.1695930569        0.1560652071E-01
O          1.108985821        0.2369972648E-01   -0.9314863649E-01
O        -0.2954071805        0.1973632202       -0.7477947248    
O         0.2808147366       -0.8901282228E-01     2.899091948    
O         0.1732198805        -1.046264783         2.863940665    
O         0.3122852185E-01    0.1766909688         2.004321547    
O          3.219960879        -2.209721794         1.442803013    
O          2.308335745        -2.521843770         1.502641743    
O          3.312035593        -1.593225166         2.178849265    
O          2.788400434        0.1629288266        0.1699701557E-01
O          3.062095495       -0.7397754703        0.2571415769    
O          2.996739439        0.6455059432        0.8258116710    
O          2.992593489        0.3198877571         2.911604264    
O          3.333359010        0.7781600958         3.678818988    
O          2.027248529        0.2537472878         3.039925538    
    18
Energy=    -45.9395317111092    
O         0.3222742698        -2.579414925         1.379544417    
O        -0.1439692199        -3.370136262         1.109256426    
O         0.1292668487        -1.903676255        0.7089009475    
O         0.1480694783       -0.1685739380        0.1609051537E-01
O          1.109035989        0.2447947371E-01   -0.9301428189E-01
O        -0.2956087372        0.1972585565       -0.7476725734    
O         0.2802152258       -0.8881492890E-01     2.899052457    
O         0.1723114192        -1.046035616         2.864099778    
O         0.2956364750E-01    0.1768958342         2.004591897    
O          3.220761121        -2.210164088         1.442656095    
O          2.308826029        -2.521523554         1.501815980    
O          3.312483262        -1.593020403         2.178228878    
O          2.788405787        0.1619693290        0.1684437557E-01
O          3.063499924       -0.7401803033        0.2575663648    
O          2.997365703        0.6457469381        0.8247431749    
O          2.992533155        0.3204034934         2.911605348    
O          3.333266406        0.7774705412         3.679487014    
O          2.027181468        0.2536337745         3.039835523    
    18
Energy=    -45.9395461949185    
O         0.3222950038        -2.579371147         1.379555980    
O        -0.1439833785        -3.370108235         1.109217481    
O         0.1292798834        -1.903654038        0.7089473183    
O         0.1480614254       -0.1686469718        0.1605833367E-01
O          1.109013677        0.2442398692E-01   -0.9302435622E-01
O        -0.2955908284        0.1972420027       -0.7477253428    
O         0.2802385797       -0.8882502677E-01     2.899065274    
O         0.1723748318        -1.046049944         2.864062470    
O         0.2964719371E-01    0.1769091150         2.004591918    
O          3.220724468        -2.210123255         1.442655867    
O          2.308818686        -2.521540999         1.501863301    
O          3.312459869        -1.593021805         2.178263218    
O          2.788425662        0.1620351641        0.1684072098E-01
O          3.063391907       -0.7401564766        0.2575379586    
O          2.997335522        0.6457658421        0.8247839855    
O          2.992526410        0.3203372807         2.911600413    
O          3.333266153        0.7774584247         3.679494675    
O          2.027196713        0.2536437486         3.039843122    
    18
Energy=    -45.9397815155275    
O         0.3237721839        -2.579064930         1.380380991    
O        -0.1435250966        -3.369566241         1.111035627    
O         0.1298852498        -1.903560017        0.7098736343    
O         0.1484122834       -0.1681510756        0.1725111117E-01
O          1.109423757        0.2400074240E-01   -0.9255818864E-01
O        -0.2954229571        0.1990159606       -0.7458297864    
O         0.2777394378       -0.8762511901E-01     2.899537845    
O         0.1704737106        -1.044918940         2.864612519    
O         0.2835919246E-01    0.1776497058         2.004569743    
O          3.222683395        -2.210099868         1.441976289    
O          2.310941461        -2.522049160         1.500648944    
O          3.313203071        -1.592676799         2.177491518    
O          2.789646834        0.1611938881        0.1534543561E-01
O          3.064400177       -0.7409108700        0.2567432554    
O          2.998292726        0.6455875791        0.8229456313    
O          2.990600895        0.3191968301         2.910939084    
O          3.331398502        0.7749082500         3.679657867    
O          2.025196957        0.2533877297         3.039010818    
    18
Energy=    -45.9397939256408    
O         0.3240670263        -2.578986832         1.380706805    
O        -0.1433931658        -3.369388973         1.111382461    
O         0.1302014235        -1.903432732        0.7102300951    
O         0.1485211034       -0.1679619183        0.1736912952E-01
O          1.109523785        0.2411073607E-01   -0.9265724329E-01
O        -0.2954436902        0.1990882462       -0.7456883651    
O         0.2773903899       -0.8746124277E-01     2.899558994    
O         0.1700806542        -1.044754774         2.864746487    
O         0.2828291511E-01    0.1776969520         2.004482648    
O          3.222861167        -2.210018054         1.441807389    
O          2.311194164        -2.522161023         1.500605776    
O          3.313283951        -1.592530585         2.177290292    
O          2.789807817        0.1612095593        0.1517258887E-01
O          3.064547457       -0.7409439670        0.2564104967    
O          2.998307706        0.6453775416        0.8229564561    
O          2.990277931        0.3188669745         2.910812994    
O          3.331120107        0.7743872477         3.679626669    
O          2.024851036        0.2532205082         3.038818665    
    18
Energy=    -45.9397947069071    
O         0.3240783668        -2.578984863         1.380683973    
O        -0.1433972576        -3.369390268         1.111405745    
O         0.1301776132        -1.903416363        0.7102396176    
O         0.1485276492       -0.1679902613        0.1735631405E-01
O          1.109528895        0.2411565246E-01   -0.9265649890E-01
O        -0.2954484450        0.1990778238       -0.7456844259    
O         0.2773770873       -0.8745553803E-01     2.899558933    
O         0.1700562736        -1.044750238         2.864757003    
O         0.2826703340E-01    0.1777000405         2.004479036    
O          3.222869253        -2.210007212         1.441807319    
O          2.311199877        -2.522140171         1.500587319    
O          3.313309779        -1.592549453         2.177308920    
O          2.789762492        0.1612061570        0.1520659904E-01
O          3.064566087       -0.7409330680        0.2563797648    
O          2.998372147        0.6453827925        0.8229606955    
O          2.990262236        0.3188703788         2.910806345    
O          3.331142508        0.7743698918         3.679612397    
O          2.024830183        0.2532123645         3.038823281    
    18
Energy=    -45.9397950550454    
O         0.3240816390        -2.578981605         1.380683869    
O        -0.1434019279        -3.369396714         1.111415796    
O         0.1301748614        -1.903406151        0.7102403398    
O         0.1485238825       -0.1679956849        0.1735302301E-01
O          1.109522600        0.2411920198E-01   -0.9265466778E-01
O        -0.2954501250        0.1990663035       -0.7456896616    
O         0.2773659368       -0.8745587512E-01     2.899554974    
O         0.1700445916        -1.044749491         2.864763605    
O         0.2826526569E-01    0.1776998921         2.004477328    
O          3.222877359        -2.210008683         1.441807931    
O          2.311195740        -2.522128987         1.500577432    
O          3.313320042        -1.592552491         2.177312001    
O          2.789768279        0.1612189255        0.1521148545E-01
O          3.064567722       -0.7409357040        0.2563713294    
O          2.998384573        0.6453813838        0.8229730471    
O          2.990259082        0.3188687650         2.910803058    
O          3.331150244        0.7743630399         3.679609159    
O          2.024832013        0.2532115403         3.038822289    
    18
Energy=    -45.9397961613583    
O         0.3240833291        -2.578953317         1.380709696    
O        -0.1434043280        -3.369374337         1.111493079    
O         0.1301811436        -1.903382994        0.7102598260    
O         0.1485047091       -0.1680284147        0.1734553932E-01
O          1.109486782        0.2414190067E-01   -0.9263750137E-01
O        -0.2954545508        0.1989897741       -0.7457300621    
O         0.2772838711       -0.8743243223E-01     2.899556748    
O         0.1699550182        -1.044728349         2.864803307    
O         0.2823757063E-01    0.1776937933         2.004451699    
O          3.222925550        -2.210045370         1.441804601    
O          2.311209579        -2.522060734         1.500512684    
O          3.313381660        -1.592561692         2.177284353    
O          2.789859110        0.1612883661        0.1521962831E-01
O          3.064560526       -0.7409064596        0.2563101220    
O          2.998427160        0.6453475874        0.8230555588    
O          2.990249939        0.3188379543         2.910779084    
O          3.331169680        0.7742964896         3.679596370    
O          2.024825030        0.2531958999         3.038817605    
    18
Energy=    -45.9397967060789    
O         0.3240993872        -2.578928844         1.380736877    
O        -0.1434062891        -3.369347706         1.111520633    
O         0.1301669091        -1.903395686        0.7102667776    
O         0.1485084919       -0.1680435983        0.1733540739E-01
O          1.109489321        0.2415235878E-01   -0.9263397450E-01
O        -0.2954557109        0.1989506990       -0.7457439027    
O         0.2772560418       -0.8741161430E-01     2.899560191    
O         0.1699085618        -1.044706016         2.864816104    
O         0.2821112843E-01    0.1776846757         2.004449012    
O          3.222950361        -2.210052394         1.441784383    
O          2.311219352        -2.522036847         1.500495332    
O          3.313407561        -1.592574883         2.177264446    
O          2.789853462        0.1613136062        0.1523223638E-01
O          3.064584260       -0.7408820806        0.2562798665    
O          2.998460781        0.6453278506        0.8230876884    
O          2.990238608        0.3188202342         2.910769221    
O          3.331173820        0.7742605366         3.679587816    
O          2.024815731        0.2531873738         3.038824222    
    18
Energy=    -45.9397970586348    
O         0.3241024740        -2.578918606         1.380753989    
O        -0.1434028012        -3.369334150         1.111547303    
O         0.1301636977        -1.903393557        0.7102711811    
O         0.1485177787       -0.1680508674        0.1733152911E-01
O          1.109494836        0.2415851967E-01   -0.9263494714E-01
O        -0.2954550396        0.1989252730       -0.7457562067    
O         0.2772392526       -0.8739917999E-01     2.899561206    
O         0.1698794752        -1.044689567         2.864829512    
O         0.2818975357E-01    0.1776865051         2.004446240    
O          3.222959079        -2.210055509         1.441761335    
O          2.311230145        -2.522030057         1.500486550    
O          3.313426991        -1.592580085         2.177247967    
O          2.789842247        0.1613266624        0.1524704155E-01
O          3.064608478       -0.7408696685        0.2562545339    
O          2.998475757        0.6453206864        0.8231075260    
O          2.990229869        0.3188056314         2.910766914    
O          3.331174643        0.7742354422         3.679583184    
O          2.024805142        0.2531801929         3.038827480    
    18
Energy=    -45.9397974727823    
O         0.3240945693        -2.578891311         1.380779190    
O        -0.1433929898        -3.369332750         1.111612070    
O         0.1301778558        -1.903373774        0.7102901517    
O         0.1485365603       -0.1680536467        0.1732184745E-01
O          1.109518949        0.2416781257E-01   -0.9264370439E-01
O        -0.2954427646        0.1988751126       -0.7457773546    
O         0.2772105061       -0.8736810699E-01     2.899557684    
O         0.1698300035        -1.044663507         2.864864772    
O         0.2814401482E-01    0.1777075567         2.004443056    
O          3.222969975        -2.210046447         1.441706765    
O          2.311249620        -2.522043747         1.500475773    
O          3.313466601        -1.592589290         2.177197027    
O          2.789813602        0.1613369467        0.1528311934E-01
O          3.064666830       -0.7408484641        0.2561966179    
O          2.998481476        0.6453211222        0.8231438049    
O          2.990209363        0.3187694572         2.910771477    
O          3.331171144        0.7741875143         3.679580721    
O          2.024776464        0.2531631877         3.038829320    
    18
Energy=    -45.9398016730479    
O         0.3242008692        -2.578795439         1.381162642    
O        -0.1433812503        -3.369197150         1.112031694    
O         0.1303693255        -1.903306468        0.7106101901    
O         0.1486653656       -0.1681319245        0.1727764424E-01
O          1.109637793        0.2415648635E-01   -0.9264178070E-01
O        -0.2952284022        0.1985640998       -0.7459848505    
O         0.2769372694       -0.8706100391E-01     2.899601888    
O         0.1695718918        -1.044357326         2.864968838    
O         0.2795883117E-01    0.1779616292         2.004450095    
O          3.223133702        -2.210092906         1.441293932    
O          2.311448032        -2.522168552         1.500198765    
O          3.313659969        -1.592671079         2.176816263    
O          2.789918666        0.1615901374        0.1526328291E-01
O          3.064756314       -0.7406702314        0.2559355898    
O          2.998288548        0.6452869055        0.8233754637    
O          2.990000786        0.3184358062         2.910804649    
O          3.330988973        0.7737968064         3.679640694    
O          2.024555096        0.2529778753         3.038827339    
    18
Energy=    -45.9398023745412    
O         0.3242905463        -2.578770932         1.381207487    
O        -0.1434611168        -3.369130899         1.112253549    
O         0.1304288439        -1.903313307        0.7106297166    
O         0.1486637582       -0.1681545372        0.1730157079E-01
O          1.109631185        0.2415297184E-01   -0.9262838102E-01
O        -0.2952507970        0.1984513154       -0.7459950711    
O         0.2768856922       -0.8701230609E-01     2.899572078    
O         0.1695606955        -1.044310987         2.864827152    
O         0.2791240680E-01    0.1780862775         2.004442915    
O          3.223184512        -2.210080897         1.441188487    
O          2.311528022        -2.522244778         1.500070332    
O          3.313646749        -1.592708371         2.176761175    
O          2.789909842        0.1616062999        0.1527505696E-01
O          3.064796570       -0.7406264910        0.2560005151    
O          2.998321630        0.6453772556        0.8233316901    
O          2.989972106        0.3183718499         2.910845460    
O          3.330944068        0.7736653012         3.679730104    
O          2.024517064        0.2529599011         3.038818500    
    18
Energy=    -45.9398026227189    
O         0.3242871248        -2.578742700         1.381216347    
O        -0.1435761748        -3.369079765         1.112390880    
O         0.1304032463        -1.903325935        0.7106038403    
O         0.1486143859       -0.1681820325        0.1722511409E-01
O          1.109579610        0.2414346236E-01   -0.9266360652E-01
O        -0.2952683898        0.1983929927       -0.7461064930    
O         0.2769299960       -0.8704519312E-01     2.899543428    
O         0.1696446809        -1.044345552         2.864694245    
O         0.2791433984E-01    0.1781298367         2.004449526    
O          3.223227930        -2.210026890         1.441208995    
O          2.311590976        -2.522241788         1.500096124    
O          3.313659045        -1.592646369         2.176780075    
O          2.789866185        0.1616349830        0.1527835452E-01
O          3.064761200       -0.7405881292        0.2560362252    
O          2.998312027        0.6454360560        0.8233035847    
O          2.990010596        0.3183423120         2.910893519    
O          3.330974225        0.7735190119         3.679854029    
O          2.024550773        0.2529433654         3.038828151    
    18
Energy=    -45.9398026527301    
O         0.3242902772        -2.578746285         1.381226465    
O        -0.1435572708        -3.369085358         1.112379363    
O         0.1304143275        -1.903322420        0.7106185100    
O         0.1486131994       -0.1681901721        0.1721918262E-01
O          1.109577235        0.2413924929E-01   -0.9267520230E-01
O        -0.2952725393        0.1983521164       -0.7461262013    
O         0.2769341284       -0.8702642681E-01     2.899538289    
O         0.1696425885        -1.044326350         2.864688097    
O         0.2791915546E-01    0.1781525842         2.004445637    
O          3.223212006        -2.210024243         1.441196729    
O          2.311570634        -2.522226007         1.500089169    
O          3.313659290        -1.592654012         2.176774512    
O          2.789860175        0.1616473793        0.1528626685E-01
O          3.064757576       -0.7405759657        0.2560420154    
O          2.998290379        0.6454424349        0.8233189542    
O          2.990019549        0.3183200243         2.910907682    
O          3.330991873        0.7735076903         3.679857531    
O          2.024559194        0.2529334266         3.038845339    
    18
Energy=    -45.9398026562057    
O         0.3242910470        -2.578745252         1.381227751    
O        -0.1435560331        -3.369084347         1.112380523    
O         0.1304122368        -1.903322620        0.7106193339    
O         0.1486111825       -0.1681960796        0.1721434341E-01
O          1.109574240        0.2414127543E-01   -0.9267365356E-01
O        -0.2952723855        0.1983455842       -0.7461326219    
O         0.2769351062       -0.8702426881E-01     2.899538022    
O         0.1696420273        -1.044323975         2.864686275    
O         0.2792088203E-01    0.1781561272         2.004445727    
O          3.223211576        -2.210023195         1.441194860    
O          2.311570338        -2.522225187         1.500088229    
O          3.313660381        -1.592654917         2.176774106    
O          2.789859771        0.1616500295        0.1528708838E-01
O          3.064755105       -0.7405738224        0.2560434654    
O          2.998288284        0.6454446129        0.8233205488    
O          2.990022171        0.3183176716         2.910909793    
O          3.330994126        0.7735019732         3.679861875    
O          2.024561724        0.2529340545         3.038846672    
    18
Energy=    -45.9398026597206    
O         0.3242908674        -2.578746534         1.381227477    
O        -0.1435581080        -3.369085912         1.112383549    
O         0.1304094303        -1.903324858        0.7106191378    
O         0.1486084962       -0.1681954863        0.1721183812E-01
O          1.109572371        0.2413966968E-01   -0.9267171587E-01
O        -0.2952694480        0.1983467470       -0.7461383413    
O         0.2769346609       -0.8702250497E-01     2.899538674    
O         0.1696427925        -1.044322373         2.864688957    
O         0.2791729613E-01    0.1781564043         2.004446896    
O          3.223214532        -2.210023717         1.441192961    
O          2.311574054        -2.522228058         1.500085822    
O          3.313663146        -1.592658320         2.176774575    
O          2.789857293        0.1616515520        0.1528800385E-01
O          3.064752002       -0.7405724590        0.2560441010    
O          2.998294091        0.6454471053        0.8233186187    
O          2.990022851        0.3183208063         2.910910150    
O          3.330993301        0.7734976387         3.679867734    
O          2.024562151        0.2529379653         3.038843900    
    18
Energy=    -45.9398026599560    
O         0.3242907829        -2.578746629         1.381227407    
O        -0.1435581441        -3.369086064         1.112383821    
O         0.1304095052        -1.903324779        0.7106190790    
O         0.1486084833       -0.1681953707        0.1721193255E-01
O          1.109572327        0.2413974489E-01   -0.9267188967E-01
O        -0.2952693594        0.1983465764       -0.7461383550    
O         0.2769346929       -0.8702236718E-01     2.899538575    
O         0.1696428945        -1.044322327         2.864689024    
O         0.2791696576E-01    0.1781565497         2.004446769    
O          3.223214632        -2.210023716         1.441192634    
O          2.311574212        -2.522227983         1.500085936    
O          3.313662982        -1.592658486         2.176774434    
O          2.789857118        0.1616513671        0.1528832896E-01
O          3.064752220       -0.7405726536        0.2560440286    
O          2.998294068        0.6454475638        0.8233185576    
O          2.990022940        0.3183208367         2.910910398    
O          3.330993373        0.7734974730         3.679867867    
O          2.024562086        0.2529379302         3.038843789    
    18
Energy=    -45.9398026620629    
O         0.3242932278        -2.578746492         1.381228778    
O        -0.1435598093        -3.369085007         1.112389865    
O         0.1304099882        -1.903325428        0.7106201274    
O         0.1486072336       -0.1681977884        0.1721010859E-01
O          1.109570795        0.2414004733E-01   -0.9267208840E-01
O        -0.2952704816        0.1983398010       -0.7461423076    
O         0.2769344131       -0.8701815294E-01     2.899535875    
O         0.1696446149        -1.044318392         2.864686142    
O         0.2791428025E-01    0.1781604563         2.004444770    
O          3.223215299        -2.210022077         1.441188635    
O          2.311575552        -2.522228200         1.500082726    
O          3.313664225        -1.592659947         2.176773025    
O          2.789854710        0.1616527766        0.1528993202E-01
O          3.064752528       -0.7405700599        0.2560476398    
O          2.998293552        0.6454523628        0.8233174921    
O          2.990024531        0.3183160742         2.910914142    
O          3.330994287        0.7734895226         3.679873743    
O          2.024562832        0.2529381688         3.038843733    
    18
Energy=    -45.9398026628883    
O         0.3242942806        -2.578745327         1.381230830    
O        -0.1435602334        -3.369083601         1.112393544    
O         0.1304122525        -1.903324932        0.7106211477    
O         0.1486066558       -0.1681994103        0.1720964491E-01
O          1.109569932        0.2413851443E-01   -0.9267383403E-01
O        -0.2952715990        0.1983348343       -0.7461440962    
O         0.2769340827       -0.8701604949E-01     2.899534202    
O         0.1696449803        -1.044316311         2.864682746    
O         0.2791535205E-01    0.1781636200         2.004443035    
O          3.223215699        -2.210021382         1.441187441    
O          2.311575762        -2.522227207         1.500080607    
O          3.313664005        -1.592659388         2.176772029    
O          2.789854665        0.1616550327        0.1529007517E-01
O          3.064750843       -0.7405679779        0.2560491900    
O          2.998291659        0.6454545754        0.8233180737    
O          2.990024894        0.3183126175         2.910915982    
O          3.330995349        0.7734844622         3.679876487    
O          2.024563198        0.2529355963         3.038845232    
    18
Energy=    -45.9398026645101    
O         0.3242945029        -2.578743506         1.381235543    
O        -0.1435610978        -3.369082463         1.112402569    
O         0.1304124288        -1.903326302        0.7106225506    
O         0.1486050034       -0.1682017779        0.1720461764E-01
O          1.109567985        0.2413935908E-01   -0.9267597015E-01
O        -0.2952714795        0.1983259638       -0.7461532506    
O         0.2769352142       -0.8701247372E-01     2.899532409    
O         0.1696433770        -1.044312380         2.864678771    
O         0.2791465748E-01    0.1781700679         2.004442674    
O          3.223217359        -2.210019908         1.441182616    
O          2.311578893        -2.522229329         1.500078776    
O          3.313665627        -1.592658195         2.176767534    
O          2.789851456        0.1616581513        0.1529169265E-01
O          3.064750734       -0.7405640859        0.2560504215    
O          2.998288429        0.6454594859        0.8233185186    
O          2.990027167        0.3183093930         2.910920028    
O          3.330996612        0.7734718396         3.679886293    
O          2.024564910        0.2529338273         3.038846544    
    18
Energy=    -45.9398026647714    
O         0.3242948499        -2.578743188         1.381236910    
O        -0.1435619261        -3.369082158         1.112405731    
O         0.1304121113        -1.903326658        0.7106235257    
O         0.1486039119       -0.1682027267        0.1720277038E-01
O          1.109566834        0.2413878725E-01   -0.9267667726E-01
O        -0.2952710894        0.1983231336       -0.7461569273    
O         0.2769349612       -0.8701116855E-01     2.899532072    
O         0.1696432525        -1.044311140         2.864677408    
O         0.2791426358E-01    0.1781722356         2.004442594    
O          3.223218340        -2.210019185         1.441181252    
O          2.311580149        -2.522229276         1.500077899    
O          3.313666645        -1.592658076         2.176766660    
O          2.789851077        0.1616600216        0.1529190349E-01
O          3.064749630       -0.7405624207        0.2560505488    
O          2.998288242        0.6454609291        0.8233189410    
O          2.990027830        0.3183077456         2.910921438    
O          3.330997307        0.7734671857         3.679889600    
O          2.024565389        0.2529336249         3.038846690    
    18
Energy=    -45.9398026650238    
O         0.3242953185        -2.578742752         1.381237108    
O        -0.1435635585        -3.369081272         1.112408241    
O         0.1304117862        -1.903326498        0.7106236282    
O         0.1486034859       -0.1682040682        0.1720206781E-01
O          1.109566274        0.2413851014E-01   -0.9267658791E-01
O        -0.2952713625        0.1983207740       -0.7461581982    
O         0.2769343080       -0.8701034011E-01     2.899531250    
O         0.1696447631        -1.044310488         2.864675841    
O         0.2791238384E-01    0.1781732184         2.004442225    
O          3.223219113        -2.210018256         1.441180914    
O          2.311580640        -2.522227650         1.500077032    
O          3.313667713        -1.592657806         2.176766872    
O          2.789850581        0.1616609796        0.1529237430E-01
O          3.064749829       -0.7405613910        0.2560505238    
O          2.998289206        0.6454618654        0.8233190290    
O          2.990027887        0.3183054958         2.910922307    
O          3.330998104        0.7734643385         3.679890523    
O          2.024565306        0.2529330073         3.038847188    
    18
Energy=    -45.9398026650410    
O         0.3242957991        -2.578742443         1.381237317    
O        -0.1435647932        -3.369080392         1.112409763    
O         0.1304121586        -1.903326193        0.7106238442    
O         0.1486034693       -0.1682039603        0.1720196277E-01
O          1.109566305        0.2413834279E-01   -0.9267675651E-01
O        -0.2952711201        0.1983199807       -0.7461589046    
O         0.2769344261       -0.8701085558E-01     2.899531343    
O         0.1696452747        -1.044311031         2.864674445    
O         0.2791251944E-01    0.1781738919         2.004442720    
O          3.223219391        -2.210017935         1.441180690    
O          2.311581149        -2.522228005         1.500076796    
O          3.313667467        -1.592657416         2.176766652    
O          2.789850476        0.1616611359        0.1529228474E-01
O          3.064749856       -0.7405611175        0.2560507837    
O          2.998288767        0.6454622171        0.8233188900    
O          2.990027707        0.3183053748         2.910922356    
O          3.330997826        0.7734634494         3.679891052    
O          2.024565100        0.2529326226         3.038847100    
    18
Energy=    -45.9398026650855    
O         0.3242956966        -2.578742402         1.381237366    
O        -0.1435649035        -3.369080360         1.112409824    
O         0.1304121928        -1.903326190        0.7106238156    
O         0.1486034903       -0.1682040571        0.1720186934E-01
O          1.109566314        0.2413840861E-01   -0.9267675149E-01
O        -0.2952711208        0.1983199803       -0.7461589233    
O         0.2769344420       -0.8701090001E-01     2.899531349    
O         0.1696453493        -1.044311050         2.864674392    
O         0.2791239942E-01    0.1781739233         2.004442768    
O          3.223219474        -2.210017951         1.441180721    
O          2.311581240        -2.522228030         1.500076740    
O          3.313667499        -1.592657424         2.176766697    
O          2.789850403        0.1616611518        0.1529230831E-01
O          3.064749837       -0.7405611025        0.2560507112    
O          2.998288889        0.6454622443        0.8233188653    
O          2.990027669        0.3183053890         2.910922366    
O          3.330997836        0.7734634593         3.679891040    
O          2.024565071        0.2529325754         3.038847179    
    18
Energy=    -45.9398026650624    
O         0.3242957055        -2.578742383         1.381237387    
O        -0.1435649805        -3.369080306         1.112409899    
O         0.1304122078        -1.903326184        0.7106238200    
O         0.1486034914       -0.1682040672        0.1720184751E-01
O          1.109566315        0.2413841120E-01   -0.9267675746E-01
O        -0.2952711110        0.1983199460       -0.7461589609    
O         0.2769344477       -0.8701092934E-01     2.899531358    
O         0.1696453842        -1.044311078         2.864674316    
O         0.2791238360E-01    0.1781739534         2.004442802    
O          3.223219506        -2.210017939         1.441180712    
O          2.311581282        -2.522228048         1.500076729    
O          3.313667488        -1.592657413         2.176766693    
O          2.789850391        0.1616611639        0.1529230216E-01
O          3.064749835       -0.7405610820        0.2560507128    
O          2.998288893        0.6454622581        0.8233188568    
O          2.990027658        0.3183053834         2.910922371    
O          3.330997822        0.7734634239         3.679891061    
O          2.024565059        0.2529325561         3.038847188    
    18
Energy=    -45.9398026651079    
O         0.3242957773        -2.578742294         1.381237423    
O        -0.1435656277        -3.369079989         1.112410500    
O         0.1304121900        -1.903326136        0.7106238431    
O         0.1486034137       -0.1682040655        0.1720171672E-01
O          1.109566230        0.2413841683E-01   -0.9267682715E-01
O        -0.2952710617        0.1983196608       -0.7461593070    
O         0.2769343562       -0.8701111913E-01     2.899531409    
O         0.1696456458        -1.044311303         2.864673834    
O         0.2791208737E-01    0.1781741603         2.004443038    
O          3.223219718        -2.210017846         1.441180608    
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O          3.313667597        -1.592657343         2.176766625    
O          2.789850458        0.1616613110        0.1529231126E-01
O          3.064749958       -0.7405609422        0.2560506302    
O          2.998288969        0.6454623626        0.8233188856    
O          2.990027645        0.3183052242         2.910922507    
O          3.330997789        0.7734632693         3.679891209    
O          2.024565029        0.2529325299         3.038847224    
    18
Energy=    -45.9398026651041    
O         0.3242957713        -2.578742298         1.381237422    
O        -0.1435656068        -3.369080001         1.112410483    
O         0.1304121936        -1.903326135        0.7106238413    
O         0.1486034167       -0.1682040659        0.1720172004E-01
O          1.109566234        0.2413841706E-01   -0.9267682495E-01
O        -0.2952710625        0.1983196694       -0.7461592958    
O         0.2769343605       -0.8701111448E-01     2.899531407    
O         0.1696456378        -1.044311295         2.864673850    
O         0.2791209667E-01    0.1781741559         2.004443029    
O          3.223219711        -2.210017849         1.441180613    
O          2.311581592        -2.522228226         1.500076705    
O          3.313667596        -1.592657344         2.176766628    
O          2.789850453        0.1616613057        0.1529231341E-01
O          3.064749954       -0.7405609479        0.2560506307    
O          2.998288967        0.6454623612        0.8233188850    
O          2.990027645        0.3183052314         2.910922502    
O          3.330997791        0.7734632736         3.679891204    
O          2.024565029        0.2529325287         3.038847224    
