    18
Energy=    -44.4633639594479    
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    18
Energy=    -44.4633639594671    
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    18
Energy=    -44.4633639594231    
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    18
Energy=    -44.4633639594034    
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    18
Energy=    -44.4633639594545    
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    18
Energy=    -44.4633639593630    
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    18
Energy=    -44.4633639593931    
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    18
Energy=    -44.4633639592661    
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    18
Energy=    -44.4633639592523    
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    18
Energy=    -44.4633639590766    
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    18
Energy=    -44.4633639590251    
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    18
Energy=    -44.4633639585765    
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    18
Energy=    -44.4633639583413    
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    18
Energy=    -44.4633639579508    
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    18
Energy=    -44.4633639574679    
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    18
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    18
Energy=    -44.4633639506603    
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    18
Energy=    -44.4633639378121    
O        -0.7955353958E-01    -2.722858443        0.7247300331E-01
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    18
Energy=    -44.4633639325144    
O        -0.7955065421E-01    -2.722860173        0.7247398883E-01
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    18
Energy=    -44.4633638605957    
O        -0.7953990964E-01    -2.722883298        0.7247849426E-01
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    18
Energy=    -44.4633638005509    
O        -0.7953021869E-01    -2.722896476        0.7248837253E-01
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    18
Energy=    -44.4633637050738    
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    18
Energy=    -44.4633629278436    
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    18
Energy=    -44.4633628611663    
O        -0.7947259414E-01    -2.722998064        0.7259460804E-01
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    18
Energy=    -44.4633626933697    
O        -0.7947771963E-01    -2.723019600        0.7261465955E-01
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    18
Energy=    -44.4633580535795    
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    18
Energy=    -44.4633443525033    
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    18
Energy=    -44.4633374313613    
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    18
Energy=    -44.4633179036099    
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    18
Energy=    -44.4633099781402    
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    18
Energy=    -44.4632981580893    
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    18
Energy=    -44.4632921879272    
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    18
Energy=    -44.4631618207027    
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    18
Energy=    -44.4630755157728    
O        -0.8052213031E-01    -2.722280271        0.7845253578E-01
O         0.1026021282E-01    -3.164019530       -0.7658670749    
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    18
Energy=    -44.4626473013121    
O        -0.8208829801E-01    -2.722067704        0.8152388836E-01
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    18
Energy=    -44.4625206646511    
O        -0.8274352362E-01    -2.722145750        0.8246279532E-01
O         0.2317650318E-02    -3.172490230       -0.7579052969    
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    18
Energy=    -44.4620403523790    
O        -0.8374449095E-01    -2.722245410        0.8432121454E-01
O        -0.6003353669E-03    -3.176099054       -0.7544431171    
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O          3.140550542        0.5917060755        0.8857867172    
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    18
Energy=    -44.4606331683544    
O        -0.8626454219E-01    -2.723988488        0.8704285768E-01
O        -0.1309908616E-01    -3.186487503       -0.7473933523    
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O          2.839844493        0.9288520919E-01    0.1193092636    
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    18
Energy=    -44.4561120250198    
O        -0.9500473500E-01    -2.728386401        0.9399351124E-01
O        -0.3170592991E-01    -3.200950190       -0.7358765804    
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    18
Energy=    -44.4553608885811    
O        -0.9490598369E-01    -2.728297426        0.9421819891E-01
O        -0.3160250200E-01    -3.200952744       -0.7359929755    
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    18
Energy=    -44.4540680252025    
O        -0.9650414950E-01    -2.727446939        0.9538308986E-01
O        -0.3588654425E-01    -3.204452479       -0.7320937120    
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    18
Energy=    -44.4490241513609    
O        -0.1021924718        -2.728955848        0.1026635298    
O        -0.4702399864E-01    -3.212477962       -0.7214478181    
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    18
Energy=    -44.4445051731733    
O        -0.1045781023        -2.727521365        0.1050488974    
O        -0.5179825782E-01    -3.216363930       -0.7161272268    
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    18
Energy=    -44.4095199347421    
O        -0.1212021619        -2.710027858        0.1624784151    
O        -0.1365561896        -3.251770839       -0.6262320468    
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    18
Energy=    -44.3667425468904    
O        -0.1345517107        -2.700160015        0.1883225932    
O        -0.1872593062        -3.274599043       -0.5747423586    
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    18
Energy=    -44.3513278557497    
O        -0.1326012034        -2.697745366        0.1873623528    
O        -0.1953029899        -3.280037164       -0.5696494997    
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    18
Energy=    -44.2839050845263    
O        -0.9522117712E-01    -2.653937147        0.1736837068    
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    18
Energy=    -44.1122227806920    
O        -0.7031247517E-01    -2.625887822        0.1562004814    
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    18
Energy=    -42.2080803714843    
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O        -0.2899502800       -0.4422828159        0.1893712818E-01
O         0.8551333127       -0.5177952139         2.973953527    
O         0.1454895309       -0.6525633498         3.599463646    
O         0.4405801352       -0.2294187823         2.122129507    
O          2.379823099        -2.390159698         1.636718500    
O          2.003575443        -1.857005113         2.355706365    
O          3.051411425        -2.950754137         2.025384298    
O          2.903196318        0.4927255036E-01    0.1125690491    
O          2.972454254       -0.8608527272        0.4238884429    
O          3.176401107        0.5641812908        0.8849341628    
O          3.158087400         1.137206773         2.760252693    
O          3.067052150         2.059532065         3.000039436    
O          2.335472116        0.7139977056         3.043432813    
    18
Energy=    -39.1782621114275    
O        -0.3147835286        -2.783635034       -0.2007993958E-01
O         0.1825973830        -3.603029786       -0.8747327660E-01
O         0.2954164973        -2.223567083        0.4679871979    
O         0.2061268554        0.1375076737        0.5178551550    
O          1.121776326        0.1703869805        0.1787984634    
O        -0.3445397478       -0.1835064515       -0.1958438846    
O         0.8640463425       -0.5468331796         3.031861186    
O         0.1666701512       -0.6945387574         3.669152375    
O         0.4265027984       -0.2931527460         2.193076364    
O          2.458368498        -2.410683930         1.616341118    
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O          3.133086870        -2.925923150         2.058867003    
O          2.888764139        0.2970345870E-01    0.1181541538    
O          2.987313417       -0.8768492247        0.4364479391    
O          3.161450086        0.5596316332        0.8807838209    
O          3.151780494         1.141143350         2.746402291    
O          3.065540653         2.057411671         3.010098783    
O          2.346435777        0.7048597755         3.055867516    
    18
Energy=    -39.0355145086547    
O        -0.3279672418        -2.827846458       -0.1520844908E-01
O         0.2525156715        -3.589961469       -0.2299881275E-01
O         0.1985134765        -2.149447559        0.4158236089    
O         0.2134764518        0.8764770652E-01    0.5095284890    
O          1.133507666        0.1453828702        0.1749479709    
O        -0.3526315750       -0.1016466523       -0.2387182146    
O         0.8668461201       -0.5488365547         3.043947488    
O         0.1720116231       -0.7049759717         3.683286617    
O         0.4225455934       -0.3078861243         2.207580163    
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O          1.995698937        -1.937373002         2.303150639    
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O          2.885426682        0.2720909684E-01    0.1196453785    
O          2.988621179       -0.8795963865        0.4379566496    
O          3.158113912        0.5584793340        0.8817331688    
O          3.150252029         1.142165436         2.743612685    
O          3.065383578         2.056849528         3.013251696    
O          2.348609673        0.7028199968         3.058222844    
    18
Energy=    -39.0868063731053    
O        -0.3345489029        -2.854818799       -0.8165561972E-02
O         0.2982058072        -3.570808749        0.2210180055E-01
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O         0.2157215268        0.4674258542E-01    0.4979177537    
O          1.139718354        0.1285048858        0.1727547308    
O        -0.3532750829       -0.4197522731E-01   -0.2600290823    
O         0.8682833916       -0.5497224695         3.050832605    
O         0.1761725592       -0.7119891793         3.691594998    
O         0.4191143039       -0.3160328418         2.216404306    
O          2.484451504        -2.421177581         1.608309231    
O          1.993535329        -1.947170030         2.294824502    
O          3.161037205        -2.915704319         2.071288144    
O          2.882555471        0.2584527987E-01    0.1212088731    
O          2.989176490       -0.8812202002        0.4385211729    
O          3.156061750        0.5576436584        0.8826958454    
O          3.149158757         1.142917733         2.741818259    
O          3.065363559         2.056473098         3.015507618    
O          2.350015992        0.7014718183         3.059752413    
    18
Energy=    -39.3417587161039    
O        -0.3510645892        -2.908194050        0.1388939378E-01
O         0.3793258700        -3.518824082        0.1030837272    
O         0.3961480371E-01    -2.061003470        0.3037628943    
O         0.2277049437       -0.5215020330E-01    0.4740085906    
O          1.144749486        0.9416088552E-01    0.1728071518    
O        -0.3543310071        0.8503044894E-01   -0.2841839546    
O         0.8698812159       -0.5492499544         3.048975488    
O         0.1848063607       -0.7254438761         3.700779455    
O         0.4085243646       -0.3218247686         2.226515560    
O          2.497320859        -2.431605031         1.602805376    
O          1.989451392        -1.962814781         2.279867383    
O          3.178826514        -2.907950214         2.078516329    
O          2.874204351        0.2464571857E-01    0.1268418596    
O          2.989398860       -0.8830204927        0.4376087818    
O          3.152243736        0.5551485217        0.8864827484    
O          3.146915948         1.144460924         2.739165231    
O          3.065795625         2.055849429         3.020728093    
O          2.352113046        0.6991026617         3.061978230    
    18
Energy=    -41.1405014761329    
O        -0.2637361069        -3.081397265        0.1860911674    
O         0.6474437691        -3.228593363        0.4542560836    
O        -0.2997818765        -2.129506002        0.5172578324E-01
O         0.1833568220       -0.1138616143        0.3660074306    
O          1.137584929       -0.1854485496E-01    0.1452076203    
O        -0.2871495405        0.5343731402       -0.1582767543    
O         0.8668099504       -0.5825527486         2.968069521    
O         0.2032729946       -0.7821598748         3.626442714    
O         0.3851838223       -0.3729923362         2.145060648    
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O          2.861087122       -0.2151194162E-01    0.1396284789    
O          3.034448693       -0.9203385594        0.4518875794    
O          3.082337064        0.5286627150        0.9047905727    
O          3.137772891         1.140713597         2.740771695    
O          3.074756684         2.042485382         3.055848159    
O          2.331676034        0.6984401830         3.039078913    
    18
Energy=    -41.2749177317683    
O        -0.2363653249        -3.083052184        0.2027529369    
O         0.6736956655        -3.218175456        0.4902710877    
O        -0.3013389893        -2.134188643        0.6503859198E-01
O         0.1779442913       -0.1105724223        0.3512829031    
O          1.135488612       -0.3160681492E-02    0.1451579328    
O        -0.2918960697        0.5666884772       -0.1325487947    
O         0.8674781594       -0.5849232965         2.955680408    
O         0.1973313861       -0.7948011939         3.597967025    
O         0.3949643446       -0.3726295260         2.123623228    
O          2.499960030        -2.482308408         1.575186225    
O          1.986089034        -1.978563336         2.224793432    
O          3.198133611        -2.909788560         2.072934804    
O          2.848022717       -0.2139566734E-01    0.1434710230    
O          3.020191869       -0.9241648776        0.4471214515    
O          3.105721178        0.5226278545        0.9024942104    
O          3.122961998         1.135522070         2.729495424    
O          3.076113382         2.033824756         3.057590758    
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    18
Energy=    -41.5515052454150    
O        -0.1822498932        -3.089999911        0.2639333887    
O         0.7275747791        -3.173419685        0.5636021511    
O        -0.2632378580        -2.147319800        0.9401168884E-01
O         0.1690019408       -0.8510129961E-01    0.3479987136    
O          1.118689591        0.2102884288E-01    0.1201218376    
O        -0.2984116213        0.6323289626       -0.7768193185E-01
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O         0.1691422620       -0.8369267728         3.533616032    
O         0.4198606868       -0.3757262832         2.078460352    
O          2.491581715        -2.484716780         1.572075549    
O          1.991658678        -1.977479992         2.229420973    
O          3.163360258        -2.955722542         2.065974736    
O          2.850051823       -0.1736806990E-01    0.1321924564    
O          2.968963942       -0.9299461702        0.4275128840    
O          3.127940204        0.5040017705        0.8993512658    
O          3.106253865         1.124598559         2.722687816    
O          3.076153361         2.016697150         3.067531689    
O          2.297291098        0.6908160095         3.025779986    
    18
Energy=    -41.6552103884206    
O        -0.1472202953        -3.070316154        0.3313015572    
O         0.7691470046        -3.152429932        0.6118513932    
O        -0.2256144472        -2.138919963        0.1066354722    
O         0.1689483429       -0.6577154003E-01    0.3324714126    
O          1.118480674        0.5187435466E-01    0.9993021605E-01
O        -0.3097803846        0.6674021976       -0.5282783581E-01
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O         0.1429889709       -0.8770316687         3.494564168    
O         0.4222987195       -0.3709507126         2.061383582    
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O          2.836111080       -0.2360406697E-01    0.1142349025    
O          2.968167876       -0.9371062902        0.4016617379    
O          3.114561247        0.4949020285        0.8827999613    
O          3.101249909         1.114060678         2.722389732    
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O          2.288517582        0.6840771693         3.021173827    
    18
Energy=    -41.7195349410758    
O        -0.1459957896        -3.023832409        0.3906978258    
O         0.7751098282        -3.133255037        0.6448244494    
O        -0.1929998997        -2.100335054        0.1272006553    
O         0.1631993240       -0.4909763620E-01    0.3177787783    
O          1.111674150        0.6172837415E-01    0.8829173416E-01
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O         0.1218325011       -0.9237539975         3.486046444    
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O          2.008607298        -1.979916251         2.239626410    
O          3.136310464        -3.017276569         2.083561650    
O          2.827970774       -0.1629301580E-01    0.9329749764E-01
O          2.991493899       -0.9262431758        0.3713913683    
O          3.103969882        0.5042169789        0.8615973851    
O          3.081751913         1.096446047         2.700946027    
O          3.077454586         1.980344527         3.069397604    
O          2.291385675        0.6589366901         3.044853014    
    18
Energy=    -41.7762047646180    
O        -0.1537757027        -2.995134330        0.4167544586    
O         0.7678200298        -3.114500785        0.6636300751    
O        -0.1972857969        -2.069740981        0.1577985661    
O         0.1626623427       -0.4037946837E-01    0.3107507572    
O          1.114042239        0.6327788317E-01    0.8410887079E-01
O        -0.3018771643        0.6698969954       -0.1295238524    
O         0.8192224624       -0.6289049899         2.915533109    
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O          2.543312615        -2.477550585         1.590615129    
O          2.020147824        -1.974311938         2.233083527    
O          3.147662442        -3.013262026         2.104999515    
O          2.837257060       -0.7395600300E-02    0.8105098355E-01
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O          3.096855350        0.5085553684        0.8582341871    
O          3.078491966         1.077574072         2.701832697    
O          3.073367033         1.961525947         3.068288090    
O          2.278298865        0.6471284399         3.030480018    
    18
Energy=    -41.8182135154326    
O        -0.1693744734        -2.956795778        0.4748810345    
O         0.7600682630        -3.094962388        0.6795964367    
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O         0.1727241459       -0.2802602051E-01    0.3041385951    
O          1.124072765        0.7182607700E-01    0.7514476145E-01
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O         0.8097057819       -0.6318977413         2.904986728    
O         0.1239339759        -1.016620649         3.451601876    
O         0.3795943155       -0.4033710867         2.060377805    
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O          2.033181711        -1.961000068         2.233538648    
O          3.169962670        -2.991653351         2.111662860    
O          2.844395461       -0.6070444368E-02    0.7588114878E-01
O          3.011004170       -0.9194301093        0.3429509500    
O          3.094547026        0.5039100395        0.8604091929    
O          3.071504032         1.055452432         2.704592147    
O          3.062491356         1.938132697         3.073464414    
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    18
Energy=    -42.0671020076570    
O        -0.2984149545        -2.813204833        0.8571007280    
O         0.6192921591        -3.094908822        0.8652354336    
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O         0.2169948170       -0.1069400435E-01    0.1880949346    
O          1.174277726        0.9517508466E-01   -0.3789524705E-02
O        -0.2382962861        0.6897838879       -0.2793787336    
O         0.7623763428       -0.6762685900         2.838442184    
O         0.1252885150        -1.290333525         3.209336358    
O         0.3881344706       -0.4320326504         1.974470493    
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O          2.903682589        0.1236549106E-01    0.6654562955E-01
O          3.029154588       -0.9080835688        0.3347059693    
O          3.110672202        0.5010379313        0.8756639974    
O          3.036661083        0.9873886029         2.763388577    
O          3.016806582         1.867446303         3.140515455    
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    18
Energy=    -42.1228300864656    
O        -0.3211992822        -2.810072278        0.9049938820    
O         0.5882257811        -3.119212032        0.8939423221    
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O         0.2244032477       -0.2253998682E-01    0.1674355523    
O          1.183408993        0.8636581705E-01   -0.1822504303E-01
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O         0.7590753840       -0.6753106319         2.831533889    
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O          2.900919978        0.3609750970E-01    0.7356723636E-01
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    18
Energy=    -42.1926910657164    
O        -0.3407744239        -2.805759680         1.014727260    
O         0.5629376118        -3.127462581        0.9581745108    
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O          2.924855055        0.6237763283E-01    0.6460517310E-01
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O          3.124801214        0.5471005437        0.8779294467    
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O          3.032957677         1.832004566         3.238388374    
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    18
Energy=    -42.1951335314965    
O        -0.3412192029        -2.805518763         1.020179822    
O         0.5632943815        -3.125045073        0.9616213696    
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O          1.189991012        0.8282540978E-01   -0.4755318371E-01
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O          2.923398842        0.6502351370E-01    0.6580352556E-01
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    18
Energy=    -42.1983749068444    
O        -0.3407073976        -2.803645531         1.032265412    
O         0.5640974281        -3.122978590        0.9716517016    
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O         0.2321704052       -0.4376698719E-01    0.1307432742    
O          1.189493133        0.8143810505E-01   -0.4888224417E-01
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O         0.7442720386       -0.6707565533         2.806140287    
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O          2.092145481        -1.857201904         2.104266030    
O          3.294720720        -2.812543990         2.046632429    
O          2.922218900        0.7172640851E-01    0.6821909584E-01
O          3.078901878       -0.8496384573        0.3134223968    
O          3.122089721        0.5511847560        0.8848933043    
O          3.019240357        0.9842831570         2.787259901    
O          3.038755640         1.820985142         3.250986541    
O          2.219975967        0.5318516543         3.086522937    
    18
Energy=    -42.2028316700466    
O        -0.3416344294        -2.799856373         1.053369999    
O         0.5606697340        -3.124990878        0.9901533500    
O        -0.3441403951        -2.033138896        0.4701242452    
O         0.2272095185       -0.4560614039E-01    0.1202860197    
O          1.184517305        0.8354337356E-01   -0.5541716491E-01
O        -0.2348542236        0.6425649852       -0.3567273709    
O         0.7363614649       -0.6654282890         2.799644785    
O         0.1442849721        -1.405098569         2.963678654    
O         0.4311353656       -0.3369275224         1.936534829    
O          2.618101227        -2.414154590         1.500827339    
O          2.101985835        -1.851778476         2.100490125    
O          3.298227012        -2.814062912         2.043914984    
O          2.918203395        0.8234554062E-01    0.7145272298E-01
O          3.082756807       -0.8390159961        0.3108614819    
O          3.114451665        0.5582311711        0.8910223070    
O          3.025049521        0.9692073645         2.797287257    
O          3.054171852         1.804527903         3.263454711    
O          2.218985151        0.5259559706         3.092674064    
    18
Energy=    -42.2048266574059    
O        -0.3427983901        -2.796439982         1.063182952    
O         0.5556911960        -3.131206730        0.9955222723    
O        -0.3412401092        -2.032610096        0.4758771781    
O         0.2237063419       -0.4851092808E-01    0.1118519503    
O          1.180199864        0.8474974270E-01   -0.6393549678E-01
O        -0.2418510052        0.6363576725       -0.3663069835    
O         0.7315537251       -0.6619103268         2.797596963    
O         0.1426999374        -1.407038403         2.949260031    
O         0.4300613066       -0.3277731862         1.935733249    
O          2.622830912        -2.411486914         1.501939603    
O          2.103977335        -1.847740548         2.097837243    
O          3.305379250        -2.803339584         2.048161280    
O          2.915252341        0.8639189444E-01    0.7265227584E-01
O          3.081331613       -0.8357738246        0.3079310075    
O          3.114799163        0.5588598970        0.8934271376    
O          3.028364228        0.9603572253         2.802217326    
O          3.065098666         1.792594367         3.272846257    
O          2.220425404        0.5208373907         3.097838093    
    18
Energy=    -42.2052251986236    
O        -0.3428211160        -2.794452793         1.067269980    
O         0.5533118044        -3.134749769        0.9974617184    
O        -0.3401281078        -2.032524712        0.4781517341    
O         0.2218145265       -0.4958103535E-01    0.1085928301    
O          1.178231523        0.8522842826E-01   -0.6640904233E-01
O        -0.2451037840        0.6333378872       -0.3708455031    
O         0.7293780687       -0.6598734886         2.796698718    
O         0.1426090612        -1.408131670         2.942356971    
O         0.4300871798       -0.3237290391         1.934568944    
O          2.623693800        -2.410217963         1.503337227    
O          2.104443385        -1.845244636         2.097032028    
O          3.309009625        -2.796603389         2.050124044    
O          2.914716848        0.8759489609E-01    0.7252234459E-01
O          3.080649310       -0.8347196487        0.3064957458    
O          3.113754489        0.5588369265        0.8939521591    
O          3.030114892        0.9563313193         2.804194204    
O          3.070282501         1.787119971         3.278194795    
O          2.221437773        0.5176963806         3.099933438    
    18
Energy=    -42.2078575168459    
O        -0.3432896187        -2.792610540         1.073321533    
O         0.5498902216        -3.139709264        0.9994973965    
O        -0.3377281659        -2.032836600        0.4810142857    
O         0.2194604047       -0.5000092696E-01    0.1069732515    
O          1.175680092        0.8550126765E-01   -0.6804001108E-01
O        -0.2479262574        0.6277857965       -0.3790649559    
O         0.7268529815       -0.6564588184         2.794035950    
O         0.1445678602        -1.410135040         2.929843481    
O         0.4299026740       -0.3171145432         1.932597277    
O          2.623070855        -2.407204861         1.506629285    
O          2.102679268        -1.840035917         2.097621050    
O          3.315418300        -2.780570941         2.053536345    
O          2.912004095        0.8778898026E-01    0.7077078073E-01
O          3.079063002       -0.8344622362        0.3048013870    
O          3.109950117        0.5588718353        0.8925610556    
O          3.033546003        0.9498697810         2.807169446    
O          3.078368635         1.775503005         3.288913340    
O          2.223971310        0.5121366867         3.101451442    
    18
Energy=    -42.2092724846248    
O        -0.3435230344        -2.793250654         1.074822497    
O         0.5494527157        -3.140687143         1.001252700    
O        -0.3367335825        -2.033043917        0.4827370186    
O         0.2192591528       -0.4904565031E-01    0.1069805957    
O          1.176228135        0.8358802027E-01   -0.6742987813E-01
O        -0.2477311783        0.6255971720       -0.3840723994    
O         0.7261172613       -0.6562655765         2.792697956    
O         0.1449308318        -1.412047525         2.923601136    
O         0.4283421125       -0.3121908458         1.933752691    
O          2.623876848        -2.403602722         1.508574438    
O          2.099862428        -1.836768336         2.097141934    
O          3.319367515        -2.769400129         2.056534381    
O          2.909092118        0.8711185937E-01    0.6913778304E-01
O          3.074523240       -0.8348838694        0.3057053898    
O          3.109064062        0.5598975844        0.8895046484    
O          3.035289689        0.9455341026         2.807662249    
O          3.083419241         1.767324139         3.295314700    
O          2.224644223        0.5084511579         3.099714497    
    18
Energy=    -42.2115589394389    
O        -0.3382823582        -2.792422476         1.076695662    
O         0.5542472703        -3.140976569         1.002414702    
O        -0.3328880236        -2.033092570        0.4832972356    
O         0.2163754709       -0.4852698693E-01    0.1052704510    
O          1.173219253        0.8459623309E-01   -0.6883550161E-01
O        -0.2499810964        0.6244789838       -0.3885530006    
O         0.7146418581       -0.6534287953         2.795139576    
O         0.1385703856        -1.414809994         2.917269343    
O         0.4202206824       -0.3073248994         1.935951847    
O          2.626234671        -2.395838626         1.515205548    
O          2.099218069        -1.828495474         2.100399160    
O          3.327282716        -2.749032746         2.064410260    
O          2.907843008        0.8561581440E-01    0.6321544160E-01
O          3.070033696       -0.8359105887        0.3041368291    
O          3.109690971        0.5604159126        0.8818361810    
O          3.036303928        0.9326196515         2.804696475    
O          3.099835732         1.746937260         3.302781285    
O          2.222915545        0.5015135366         3.098300841    
    18
Energy=    -42.2117923732626    
O        -0.3354194454        -2.793692153         1.075185548    
O         0.5585906396        -3.138930510         1.003118269    
O        -0.3314994605        -2.034601498        0.4815234293    
O         0.2146548374       -0.4761488753E-01    0.1046430677    
O          1.171386393        0.8538968836E-01   -0.6997916455E-01
O        -0.2519649946        0.6258668807       -0.3882786332    
O         0.7130711577       -0.6518324052         2.794616456    
O         0.1375317228        -1.413359810         2.918007918    
O         0.4181708835       -0.3068491594         1.935126241    
O          2.626380407        -2.394958246         1.517449532    
O          2.099157289        -1.826891776         2.101744536    
O          3.327357500        -2.747282365         2.067273095    
O          2.906264253        0.8519778814E-01    0.6269338227E-01
O          3.068786517       -0.8364258010        0.3029375385    
O          3.108862411        0.5593461296        0.8815116191    
O          3.037696201        0.9291689741         2.804878320    
O          3.103828772         1.743019912         3.303409098    
O          2.222626695        0.5007669060         3.097772087    
    18
Energy=    -42.2117994153455    
O        -0.3352321427        -2.793892779         1.075092058    
O         0.5589113137        -3.138771733         1.002928067    
O        -0.3316833721        -2.034832238        0.4813964537    
O         0.2145746888       -0.4753921269E-01    0.1046817651    
O          1.171316150        0.8533444875E-01   -0.6999882306E-01
O        -0.2520067680        0.6258438872       -0.3884241206    
O         0.7130734975       -0.6518546461         2.794593263    
O         0.1374228266        -1.413315108         2.917973743    
O         0.4181020648       -0.3067139773         1.935199013    
O          2.626330116        -2.394835151         1.517514299    
O          2.099019239        -1.826867952         2.101825018    
O          3.327325795        -2.747153089         2.067332748    
O          2.906182772        0.8507702702E-01    0.6271151966E-01
O          3.068434469       -0.8365117061        0.3033063613    
O          3.108870052        0.5594516280        0.8813731491    
O          3.037891223        0.9292335845         2.804823542    
O          3.104137201         1.742877633         3.303647916    
O          2.222812654        0.5007870496         3.097656366    
    18
Energy=    -42.2118111022205    
O        -0.3347875620        -2.794169611         1.074565493    
O         0.5596496776        -3.138418510         1.002917381    
O        -0.3315128945        -2.035114802        0.4808654402    
O         0.2141924565       -0.4751011604E-01    0.1046232251    
O          1.170948703        0.8526864861E-01   -0.7007996205E-01
O        -0.2523884058        0.6258423683       -0.3885121479    
O         0.7130569888       -0.6517069330         2.794387033    
O         0.1372676489        -1.413007610         2.918021763    
O         0.4180040925       -0.3065801590         1.935001980    
O          2.626224862        -2.394674970         1.517985918    
O          2.098960842        -1.826467879         2.102113524    
O          3.327298432        -2.746752521         2.067861645    
O          2.905739352        0.8489989357E-01    0.6261389353E-01
O          3.067945372       -0.8366701107        0.3033160839    
O          3.108551729        0.5593665058        0.8811870016    
O          3.038133035        0.9289540394         2.804806871    
O          3.105300956         1.742166446         3.304240282    
O          2.222896493        0.5008929858         3.097716913    
    18
Energy=    -42.2118216094418    
O        -0.3342724014        -2.794336187         1.074333952    
O         0.5603407790        -3.138203065         1.003048775    
O        -0.3310487485        -2.035285670        0.4806343614    
O         0.2138175631       -0.4742920255E-01    0.1043995566    
O          1.170563462        0.8548827224E-01   -0.7025018750E-01
O        -0.2528739373        0.6258379744       -0.3887459725    
O         0.7124098493       -0.6511698991         2.794364924    
O         0.1369282105        -1.412672562         2.918104446    
O         0.4173609160       -0.3064076875         1.934831347    
O          2.626411455        -2.394316446         1.518593532    
O          2.099012136        -1.826026606         2.102504419    
O          3.327676145        -2.745866231         2.068560489    
O          2.905366066        0.8492990599E-01    0.6238830797E-01
O          3.067712475       -0.8366513543        0.3029330053    
O          3.108370328        0.5592444000        0.8810016984    
O          3.038384570        0.9279028942         2.804730373    
O          3.106618996         1.740697471         3.304671911    
O          2.222703914        0.5005816602         3.097527398    
    18
Energy=    -42.2118242326566    
O        -0.3341515023        -2.794199833         1.074782784    
O         0.5603214058        -3.138379147         1.003372147    
O        -0.3308352005        -2.035282053        0.4809122118    
O         0.2137648617       -0.4747999259E-01    0.1041916137    
O          1.170477652        0.8554964924E-01   -0.7049216367E-01
O        -0.2530086814        0.6256150580       -0.3891148011    
O         0.7119233138       -0.6510161456         2.794412748    
O         0.1367404357        -1.412888733         2.917478905    
O         0.4170929818       -0.3060215582         1.934915843    
O          2.626479446        -2.393879773         1.518721071    
O          2.098862488        -1.825567724         2.102402570    
O          3.328057806        -2.744645675         2.068801370    
O          2.905397546        0.8497998945E-01    0.6214693957E-01
O          3.067568115       -0.8366373940        0.3026955588    
O          3.108410181        0.5591907928        0.8808153533    
O          3.038550122        0.9271350862         2.804901588    
O          3.107103495         1.739785476         3.305055703    
O          2.222727313        0.5000596435         3.097632896    
    18
Energy=    -42.2118258707166    
O        -0.3341983242        -2.794170061         1.074997343    
O         0.5601943140        -3.138549837         1.003502991    
O        -0.3308360398        -2.035321070        0.4810284773    
O         0.2136601895       -0.4750498596E-01    0.1041052244    
O          1.170382503        0.8552884946E-01   -0.7050394830E-01
O        -0.2530734288        0.6254592957       -0.3894227921    
O         0.7118598975       -0.6509435572         2.794306340    
O         0.1368147440        -1.412986550         2.916956151    
O         0.4171065907       -0.3057222377         1.934870571    
O          2.626522956        -2.393862975         1.518806704    
O          2.098912126        -1.825447872         2.102401498    
O          3.328222784        -2.744353256         2.068894053    
O          2.905279563        0.8505675006E-01    0.6215228920E-01
O          3.067519536       -0.8365479474        0.3026881216    
O          3.108312123        0.5592754582        0.8808084666    
O          3.038596174        0.9269934326         2.804950940    
O          3.107457730         1.739441794         3.305383511    
O          2.222748340        0.4999724357         3.097706397    
    18
Energy=    -42.2118264923755    
O        -0.3342092680        -2.794112286         1.075216918    
O         0.5601170223        -3.138632983         1.003593068    
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O         0.2135674653       -0.4752178320E-01    0.1039662827    
O          1.170290873        0.8550046960E-01   -0.7062881793E-01
O        -0.2531588063        0.6253489573       -0.3896975424    
O         0.7117966752       -0.6508941052         2.794240544    
O         0.1368331692        -1.413052792         2.916611461    
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O          2.905198503        0.8512028858E-01    0.6219444750E-01
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    18
Energy=    -42.2118265629826    
O        -0.3342107621        -2.794109579         1.075231633    
O         0.5601159994        -3.138626105         1.003598338    
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O         0.2135619685       -0.4752639126E-01    0.1039484129    
O          1.170287118        0.8550311705E-01   -0.7063385560E-01
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O         0.7117915090       -0.6508893904         2.794238237    
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O          2.905194371        0.8512005754E-01    0.6219620708E-01
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    18
Energy=    -42.2118265901972    
O        -0.3342090705        -2.794107230         1.075236587    
O         0.5601178153        -3.138621180         1.003600643    
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    18
Energy=    -42.2118267920110    
O        -0.3341889913        -2.794077703         1.075290556    
O         0.5601512383        -3.138561958         1.003641452    
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    18
Energy=    -42.2118268305633    
O        -0.3341887249        -2.794076593         1.075293907    
O         0.5601535262        -3.138551108         1.003651219    
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    18
Energy=    -42.2118268857254    
O        -0.3341879814        -2.794071812         1.075310679    
O         0.5601704147        -3.138515487         1.003682416    
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    18
Energy=    -42.2118268987700    
O        -0.3341886424        -2.794073425         1.075313247    
O         0.5601708839        -3.138513012         1.003684969    
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O          1.170267933        0.8549839877E-01   -0.7069221656E-01
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O          2.905190195        0.8515493554E-01    0.6220680256E-01
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    18
Energy=    -42.2118269346255    
O        -0.3341859766        -2.794074453         1.075349450    
O         0.5601812717        -3.138495319         1.003716954    
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O          1.170264884        0.8549772828E-01   -0.7069891381E-01
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O          2.905191679        0.8518094640E-01    0.6222079805E-01
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O          3.108238071        0.5593966790        0.8808731759    
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    18
Energy=    -42.2118269490296    
O        -0.3341962463        -2.794078627         1.075371665    
O         0.5601613576        -3.138519928         1.003723358    
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O          1.170268183        0.8549604211E-01   -0.7070067271E-01
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O          3.107669240         1.739187491         3.305772637    
O          2.222796491        0.4998823174         3.097816293    
    18
Energy=    -42.2118269518299    
O        -0.3342037697        -2.794075943         1.075378822    
O         0.5601505539        -3.138525086         1.003726200    
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O         0.2135535148       -0.4758066217E-01    0.1038675501    
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O          2.905203939        0.8519380201E-01    0.6222828698E-01
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O          3.108242651        0.5594108625        0.8808823949    
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    18
Energy=    -42.2118269521008    
O        -0.3342043571        -2.794076314         1.075378461    
O         0.5601500228        -3.138524985         1.003726212    
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O          1.170272270        0.8549461727E-01   -0.7070245640E-01
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O          2.905203444        0.8519359361E-01    0.6222849463E-01
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    18
Energy=    -42.2118269527890    
O        -0.3342091129        -2.794072550         1.075379921    
O         0.5601432784        -3.138525830         1.003725373    
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O         0.2135573490       -0.4758178259E-01    0.1038687425    
O          1.170275943        0.8549369505E-01   -0.7070076610E-01
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O         0.4171365059       -0.3054563794         1.934837841    
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O          2.905205752        0.8519286729E-01    0.6222864541E-01
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    18
Energy=    -42.2118269529538    
O        -0.3342101291        -2.794071800         1.075380349    
O         0.5601412495        -3.138527406         1.003724631    
O        -0.3309141138        -2.035315119        0.4812890794    
O         0.2135581938       -0.4758145524E-01    0.1038697343    
O          1.170276752        0.8549321885E-01   -0.7070075118E-01
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O         0.7118183420       -0.6508589299         2.794217095    
O         0.1368876201        -1.413060168         2.916495943    
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O          2.905206323        0.8519320788E-01    0.6222917001E-01
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    18
Energy=    -42.2118269529479    
O        -0.3342105626        -2.794071597         1.075380366    
O         0.5601404430        -3.138528133         1.003724371    
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O         0.2135584391       -0.4758135218E-01    0.1038700624    
O          1.170277027        0.8549312299E-01   -0.7070057524E-01
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O         0.7118185902       -0.6508592858         2.794217185    
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O          2.905206641        0.8519331350E-01    0.6222933322E-01
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    18
Energy=    -42.2118269531450    
O        -0.3342120714        -2.794071798         1.075379709    
O         0.5601382527        -3.138530001         1.003723613    
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O         0.2135590740       -0.4758139331E-01    0.1038705756    
O          1.170277819        0.8549332204E-01   -0.7069913043E-01
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O          2.905207355        0.8519329195E-01    0.6222985737E-01
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O          3.108244352        0.5594106660        0.8808842559    
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    18
Energy=    -42.2118269534720    
O        -0.3342111392        -2.794073877         1.075376535    
O         0.5601415562        -3.138526967         1.003721514    
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O         0.2135595219       -0.4758077009E-01    0.1038723787    
O          1.170278108        0.8549337060E-01   -0.7069836336E-01
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O          2.905208155        0.8519251461E-01    0.6223136267E-01
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    18
Energy=    -42.2118269535230    
O        -0.3342110377        -2.794073986         1.075376290    
O         0.5601415217        -3.138526747         1.003721417    
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O          1.170278133        0.8549336667E-01   -0.7069824292E-01
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O         0.7118236794       -0.6508620371         2.794217552    
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    18
Energy=    -42.2118269536021    
O        -0.3342112067        -2.794074422         1.075374773    
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    18
Energy=    -42.2118269535964    
O        -0.3342127281        -2.794074076         1.075371638    
O         0.5601403298        -3.138525864         1.003718436    
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    18
Energy=    -42.2118269536206    
O        -0.3342127639        -2.794074016         1.075371475    
O         0.5601401678        -3.138526170         1.003718162    
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O          1.170280727        0.8549308767E-01   -0.7069585792E-01
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O          2.222795413        0.4998895179         3.097814926    
    18
Energy=    -42.2118269536685    
O        -0.3342127881        -2.794074156         1.075371297    
O         0.5601400558        -3.138526491         1.003717799    
O        -0.3309161520        -2.035314191        0.4812843509    
O         0.2135621026       -0.4758031888E-01    0.1038756447    
O          1.170280825        0.8549308441E-01   -0.7069552926E-01
O        -0.2532046121        0.6251994177       -0.3898745099    
O         0.7118262304       -0.6508641722         2.794218979    
O         0.1368898004        -1.413058794         2.916510113    
O         0.4171416103       -0.3054668284         1.934839049    
O          2.626594491        -2.393848998         1.518725855    
O          2.099067299        -1.825381542         2.102339884    
O          3.328233129        -2.744488636         2.068798175    
O          2.905210046        0.8519090532E-01    0.6223150901E-01
O          3.067542577       -0.8364059870        0.3027277673    
O          3.108246534        0.5594091618        0.8808855859    
O          3.038653774        0.9269227873         2.805103208    
O          3.107631144         1.739222955         3.305758488    
O          2.222795710        0.4998894704         3.097814672    
