    18
Energy=    -45.6575053824151    
O          1.739613508        0.5214008474        -1.432792091    
H          2.024425374         1.361240802        -1.790312664    
H         0.7841662410        0.4585379820        -1.612789704    
O        -0.2574935127        -2.557223548       -0.1642733033    
H         0.4146816783        -1.979781482        0.2663612452    
H         0.2076432115        -3.330881557       -0.4812567957    
O         -2.377928721        -2.091190496         1.544498709    
H         -2.377961452        -2.644888627         2.325323384    
H         -1.696664747        -2.463261357        0.9589894169    
O         -1.393439711        0.4506947891         1.366803952    
H         -1.837533061         1.145160969         1.852006901    
H         -1.864012722       -0.3773294240         1.576365804    
O          1.260691587       -0.7018527252         1.033230524    
H         0.5311303418       -0.1524672292         1.346984955    
H          1.636053571       -0.1969140589        0.2952503193    
O        -0.9703440330       -0.1644093383E-01    -1.490874985    
H        -0.8932045132       -0.9679424706        -1.352194780    
H         -1.258592984        0.3084123434       -0.6282527092    
    18
Energy=    -45.6557342678513    
O          1.737515208        0.5098823063        -1.436993685    
H          2.031116531         1.343233363        -1.802403184    
H         0.7814022199        0.4550056222        -1.615841135    
O        -0.2515378204        -2.554292433       -0.1626284308    
H         0.4190424303        -1.976144373        0.2691271741    
H         0.2164681693        -3.323757150       -0.4856940429    
O         -2.377617276        -2.092486743         1.538554526    
H         -2.386975000        -2.651286843         2.315780056    
H         -1.691987047        -2.462928023        0.9569384553    
O         -1.395272958        0.4513759295         1.372629521    
H         -1.838452813         1.143613223         1.861796012    
H         -1.866174565       -0.3774079808         1.578597612    
O          1.261271874       -0.6960387042         1.038018460    
H         0.5292168527       -0.1477781993         1.347691108    
H          1.636814426       -0.1934997447        0.2986761171    
O        -0.9750524850       -0.1254947842E-01    -1.488068292    
H        -0.8949544337       -0.9635744789        -1.346967808    
H         -1.263593258        0.3139075316       -0.6261442848    
    18
Energy=    -45.6533855587668    
O          1.741176669        0.5000269348        -1.442294998    
H          2.041294175         1.325055757        -1.821032989    
H         0.7837230747        0.4518600270        -1.615788361    
O        -0.2493734360        -2.547141171       -0.1627567968    
H         0.4188190948        -1.968108487        0.2717380334    
H         0.2221297912        -3.313508647       -0.4882424545    
O         -2.380145921        -2.096734336         1.535281693    
H         -2.390918789        -2.657110094         2.311224392    
H         -1.694560173        -2.466226198        0.9534276320    
O         -1.399254838        0.4492488695         1.377326501    
H         -1.845254675         1.137337706         1.869673013    
H         -1.866255311       -0.3824493292         1.580884315    
O          1.261141432       -0.6891545372         1.039854746    
H         0.5303155748       -0.1399776243         1.350562974    
H          1.634760070       -0.1894590543        0.2976196039    
O        -0.9748525812       -0.8138233985E-02    -1.482401444    
H        -0.8960101106       -0.9592809611        -1.340508948    
H         -1.265503993        0.3190332039       -0.6214987349    
    18
Energy=    -45.6523244724643    
O          1.742049473        0.4983912797        -1.441663316    
H          2.042154222         1.320503107        -1.826710497    
H         0.7851800102        0.4476552875        -1.617792520    
O        -0.2494139271        -2.545330887       -0.1624655296    
H         0.4184713209        -1.965854170        0.2723787147    
H         0.2227333110        -3.310555596       -0.4894009702    
O         -2.381837718        -2.098415440         1.534252869    
H         -2.391003475        -2.659214068         2.309950062    
H         -1.695269176        -2.466383953        0.9524303486    
O         -1.399726245        0.4480625902         1.379907035    
H         -1.847194717         1.135577886         1.872058100    
H         -1.867489622       -0.3836310684         1.580572170    
O          1.261174635       -0.6867580845         1.039925371    
H         0.5302699121       -0.1377806660         1.351280799    
H          1.634780009       -0.1868509186        0.2975578729    
O        -0.9742566302       -0.6682751006E-02    -1.480785347    
H        -0.8969510647       -0.9578412627        -1.339338605    
H         -1.262440264        0.3203825389       -0.6190883810    
    18
Energy=    -45.6511776605876    
O          1.741768265        0.4984894291        -1.441676743    
H          2.042782098         1.316834347        -1.833881678    
H         0.7848302714        0.4472318576        -1.617466300    
O        -0.2496497710        -2.544438342       -0.1615269744    
H         0.4186165024        -1.964393957        0.2719104528    
H         0.2223932615        -3.308976776       -0.4901799327    
O         -2.383101699        -2.099687250         1.533133303    
H         -2.390712874        -2.660148650         2.309062143    
H         -1.695692092        -2.466238359        0.9513763102    
O         -1.400833408        0.4466865187         1.381346034    
H         -1.847853722         1.134390964         1.873221878    
H         -1.869093744       -0.3849587180         1.582049152    
O          1.260626487       -0.6860119426         1.040477537    
H         0.5298938368       -0.1370726533         1.352398946    
H          1.636389633       -0.1842921069        0.3006842313    
O        -0.9732164545       -0.6537879262E-02    -1.480808657    
H        -0.8988611760       -0.9578443787        -1.338835886    
H         -1.257055361        0.3222417212       -0.6182156395    
    18
Energy=    -45.6499577596903    
O          1.742264283        0.4978985060        -1.444488743    
H          2.042534964         1.317174244        -1.835654559    
H         0.7849750602        0.4452911647        -1.617665342    
O        -0.2498548831        -2.543883218       -0.1617413017    
H         0.4188370907        -1.964045073        0.2715417517    
H         0.2222390405        -3.308370381       -0.4906470556    
O         -2.383589654        -2.099944052         1.532943557    
H         -2.390548440        -2.660394836         2.308695292    
H         -1.695775202        -2.465845322        0.9511335251    
O         -1.401070538        0.4459027245         1.382212932    
H         -1.848328386         1.133956968         1.873698352    
H         -1.870094716       -0.3854870821         1.582605201    
O          1.261128876       -0.6845964063         1.042551250    
H         0.5288571234       -0.1372155943         1.353297908    
H          1.636840538       -0.1839171916        0.3020321608    
O        -0.9719899954       -0.6400887688E-02    -1.480541066    
H        -0.9003999767       -0.9579669473        -1.338884869    
H         -1.254795129        0.3231172090       -0.6180208152    
    18
Energy=    -45.6487788647287    
O          1.741775720        0.4994182288        -1.443668820    
H          2.043110535         1.315984680        -1.837049702    
H         0.7845934951        0.4459731695        -1.617180026    
O        -0.2498244401        -2.543998278       -0.1617704672    
H         0.4185886239        -1.964053196        0.2713199818    
H         0.2222218017        -3.308274811       -0.4904993511    
O         -2.383630333        -2.099976115         1.532954353    
H         -2.390514126        -2.660437707         2.308579145    
H         -1.695737724        -2.465808046        0.9510816109    
O         -1.401082421        0.4458254184         1.382412380    
H         -1.848303752         1.133838844         1.873637136    
H         -1.870205213       -0.3854923499         1.582636584    
O          1.261407781       -0.6844305431         1.043102771    
H         0.5287350418       -0.1374130740         1.353239415    
H          1.636936325       -0.1843204212        0.3019972629    
O        -0.9717449042       -0.6624333891E-02    -1.480657586    
H        -0.9006970544       -0.9582281416        -1.338839274    
H         -1.254399303        0.3232905011       -0.6182272380    
    18
Energy=    -45.6475303531553    
O          1.744859212        0.4976651086        -1.447624678    
H          2.039357038         1.317340480        -1.841261692    
H         0.7873024578        0.4439236057        -1.618893404    
O        -0.2497070193        -2.543027181       -0.1625134370    
H         0.4195335792        -1.964455078        0.2706871469    
H         0.2212541713        -3.308398629       -0.4912400072    
O         -2.384374299        -2.100154858         1.532824605    
H         -2.390457682        -2.660813821         2.308699399    
H         -1.696264231        -2.465052701        0.9510059291    
O         -1.401060989        0.4446383127         1.383100301    
H         -1.848265798         1.133365463         1.873730033    
H         -1.871350755       -0.3861169512         1.582613365    
O          1.262404310       -0.6836578545         1.047355968    
H         0.5273492613       -0.1379848785         1.354994349    
H          1.636644231       -0.1831178193        0.3062223246    
O        -0.9712555533       -0.5189605672E-02    -1.479990988    
H        -0.9005742373       -0.9569679551        -1.339727992    
H         -1.254163643        0.3232781880       -0.6169130455    
    18
Energy=    -45.6454843285047    
O          1.745336312        0.4997321955        -1.446902466    
H          2.038644845         1.315925711        -1.849454660    
H         0.7878447522        0.4453966528        -1.618337820    
O        -0.2493112709        -2.542821911       -0.1633875083    
H         0.4203351323        -1.965524334        0.2707799486    
H         0.2198202412        -3.309096941       -0.4911922764    
O         -2.385065567        -2.100437040         1.532815908    
H         -2.390474312        -2.661044287         2.308876876    
H         -1.696972846        -2.464861445        0.9507938717    
O         -1.400857874        0.4437722564         1.382863142    
H         -1.847243101         1.133022243         1.873068666    
H         -1.871821741       -0.3865832740         1.582353825    
O          1.262068346       -0.6847022393         1.049215170    
H         0.5268209805       -0.1392872230         1.356895374    
H          1.637891077       -0.1812845279        0.3109514626    
O        -0.9712598891       -0.3628226756E-02    -1.479446868    
H        -0.8988490302       -0.9557192815        -1.340745464    
H         -1.255676000        0.3224154949       -0.6160790026    
    18
Energy=    -45.6415509671988    
O          1.743867686        0.5062690225        -1.443995922    
H          2.040480113         1.312163521        -1.864562220    
H         0.7867958275        0.4484304936        -1.616021367    
O        -0.2489430325        -2.541969304       -0.1652003516    
H         0.4215780242        -1.967775095        0.2717746090    
H         0.2178367153        -3.310871778       -0.4908952901    
O         -2.386159359        -2.100932073         1.532977445    
H         -2.390533773        -2.661374381         2.309101398    
H         -1.698112617        -2.464685362        0.9504397946    
O         -1.400083795        0.4422328304         1.382143598    
H         -1.845429832         1.132646090         1.871843723    
H         -1.872493976       -0.3872238327         1.581762332    
O          1.260865429       -0.6866646288         1.050858004    
H         0.5258625386       -0.1417795732         1.360475213    
H          1.641154496       -0.1786756782        0.3184435871    
O        -0.9705116477       -0.1645785069E-02    -1.478443777    
H        -0.8961428604       -0.9538758663        -1.342565748    
H         -1.258799883        0.3210052258       -0.6150668497    
    18
Energy=    -45.6404548493961    
O          1.743464078        0.5070452396        -1.444275074    
H          2.041147178         1.312080278        -1.865666202    
H         0.7863435119        0.4480556684        -1.615846668    
O        -0.2487999172        -2.541581552       -0.1657322411    
H         0.4217389153        -1.968213147        0.2722734870    
H         0.2176991743        -3.311000888       -0.4908771100    
O         -2.386283418        -2.100969237         1.533096851    
H         -2.390559993        -2.661403150         2.309120923    
H         -1.698200386        -2.464600519        0.9504383464    
O         -1.399902633        0.4420470639         1.382185825    
H         -1.845297252         1.132569996         1.871724741    
H         -1.872645357       -0.3872609869         1.581613192    
O          1.260425075       -0.6866472210         1.050837124    
H         0.5256981259       -0.1420855962         1.361030838    
H          1.641769570       -0.1784318722        0.3190798900    
O        -0.9698996049       -0.1567945953E-02    -1.478066192    
H        -0.8962316205       -0.9536872291        -1.342842017    
H         -1.259235391        0.3209249233       -0.6150275356    
    18
Energy=    -45.6326672716375    
O          1.742243187        0.5155962406        -1.438417839    
H          2.044094600         1.307809411        -1.881164506    
H         0.7858594992        0.4512643231        -1.611602457    
O        -0.2494349444        -2.543076692       -0.1637503097    
H         0.4227928610        -1.968428956        0.2695521425    
H         0.2158549283        -3.312717127       -0.4903450954    
O         -2.387261261        -2.101680716         1.532617789    
H         -2.390405160        -2.661422016         2.309028725    
H         -1.699065567        -2.465235035        0.9499150053    
O         -1.400232124        0.4413021524         1.380029219    
H         -1.843382709         1.132457197         1.870726620    
H         -1.872218449       -0.3877507682         1.582207782    
O          1.259644575       -0.6884973872         1.052868687    
H         0.5251436835       -0.1446193632         1.364193101    
H          1.644285420       -0.1780233157        0.3243570910    
O        -0.9758987122       -0.2551337727E-03    -1.479461041    
H        -0.8901050811       -0.9511089189        -1.344014806    
H         -1.260684692        0.3196599280       -0.6136719314    
    18
Energy=    -45.6260952487550    
O          1.740514393        0.5226484264        -1.431431441    
H          2.046379342         1.302193405        -1.893298065    
H         0.7844906701        0.4573926737        -1.607766972    
O        -0.2501460222        -2.544570621       -0.1626158094    
H         0.4228213649        -1.968568552        0.2678546612    
H         0.2148122763        -3.314092983       -0.4896410573    
O         -2.387660440        -2.102047079         1.532236321    
H         -2.390291621        -2.661539486         2.308940433    
H         -1.699648796        -2.465761172        0.9494773710    
O         -1.400194305        0.4408137748         1.378762265    
H         -1.842027413         1.132497582         1.869881561    
H         -1.871895148       -0.3880314593         1.582443395    
O          1.260236652       -0.6902512862         1.054033568    
H         0.5250978838       -0.1463756953         1.365104932    
H          1.645541559       -0.1777776551        0.3276673522    
O        -0.9786091363        0.2541716436E-03    -1.480504708    
H        -0.8866801024       -0.9502783284        -1.344458096    
H         -1.261511103        0.3187681089       -0.6136175313    
    18
Energy=    -45.6233310291732    
O          1.739190330        0.5263107188        -1.427306854    
H          2.047514736         1.298715451        -1.899333576    
H         0.7835983291        0.4614385281        -1.605900179    
O        -0.2504644389        -2.545202814       -0.1624431921    
H         0.4226113120        -1.968792585        0.2674290233    
H         0.2144163159        -3.314796271       -0.4892104367    
O         -2.387774592        -2.102174104         1.532132417    
H         -2.390252959        -2.661626550         2.308882058    
H         -1.699908517        -2.465984891        0.9492625319    
O         -1.400008450        0.4405476531         1.378340792    
H         -1.841397576         1.132540879         1.869423400    
H         -1.871805648       -0.3881456722         1.582410126    
O          1.260713418       -0.6911551462         1.054386631    
H         0.5252254256       -0.1472298991         1.365149994    
H          1.646075005       -0.1776179069        0.3291918038    
O        -0.9789289456        0.3104613386E-03    -1.480774124    
H        -0.8856185772       -0.9502304005        -1.344617406    
H         -1.261955114        0.3183663752       -0.6139548300    
    18
Energy=    -45.6151897502628    
O          1.734327382        0.5371792289        -1.415277559    
H          2.051825538         1.287859541        -1.915509692    
H         0.7793114462        0.4739963712        -1.600533931    
O        -0.2511891330        -2.546151055       -0.1632319617    
H         0.4214207155        -1.970153193        0.2676755676    
H         0.2137993563        -3.316824759       -0.4878641485    
O         -2.387859874        -2.102350055         1.532121194    
H         -2.390207057        -2.661958572         2.308705132    
H         -1.700543056        -2.466432495        0.9487321171    
O         -1.398933876        0.4397137757         1.377838293    
H         -1.839832864         1.132643409         1.868061057    
H         -1.871827973       -0.3883206383         1.581846423    
O          1.261550492       -0.6935015621         1.055238299    
H         0.5259685283       -0.1498971388         1.364523278    
H          1.648140373       -0.1767805297        0.3322513180    
O        -0.9764000349       -0.5227004489E-03    -1.481168855    
H        -0.8847219858       -0.9509262985        -1.345051560    
H         -1.263597923        0.3177004962       -0.6152867938    
    18
Energy=    -45.6034165202092    
O          1.733317783        0.5387220285        -1.412834049    
H          2.052971456         1.285898414        -1.918909128    
H         0.7777534592        0.4770278266        -1.599162375    
O        -0.2513644010        -2.546004619       -0.1634381736    
H         0.4209290111        -1.970717762        0.2678478828    
H         0.2137978673        -3.317470989       -0.4876536251    
O         -2.387847076        -2.102372803         1.532241355    
H         -2.390202156        -2.662000099         2.308611672    
H         -1.700698283        -2.466545412        0.9485811849    
O         -1.398583270        0.4394860555         1.377838255    
H         -1.839505978         1.132667000         1.867736234    
H         -1.871867226       -0.3883297738         1.581631434    
O          1.261018488       -0.6938228520         1.056058646    
H         0.5266331232       -0.1509973264         1.364065431    
H          1.648948925       -0.1759238135        0.3323785349    
O        -0.9749860624       -0.1416773526E-02    -1.481414390    
H        -0.8848302556       -0.9506637272        -1.345256285    
H         -1.264255351        0.3177384520       -0.6152544260    
    18
Energy=    -45.5952159493399    
O          1.733404534        0.5360363765        -1.412699514    
H          2.052595181         1.286599128        -1.919440510    
H         0.7769333396        0.4790831597        -1.598478763    
O        -0.2517227641        -2.546735269       -0.1640156028    
H         0.4208559867        -1.970886850        0.2682464760    
H         0.2134996334        -3.317445092       -0.4875402047    
O         -2.387735162        -2.102219723         1.532191995    
H         -2.390193104        -2.662100653         2.308712046    
H         -1.700930023        -2.466648723        0.9484683843    
O         -1.398344126        0.4394066989         1.377938466    
H         -1.839357394         1.132693902         1.867541784    
H         -1.871904461       -0.3883778248         1.581434522    
O          1.263151183       -0.6937531589         1.054704343    
H         0.5257314585       -0.1507942562         1.364062669    
H          1.648513384       -0.1751746017        0.3337541372    
O        -0.9738102073       -0.1025639952E-04    -1.480349815    
H        -0.8848652581       -0.9517492218        -1.345288444    
H         -1.264592146        0.3173501891       -0.6161737911    
    18
Energy=    -45.5787403432548    
O          1.721115838        0.5658890937        -1.389617206    
H          2.064148748         1.262458128        -1.949615066    
H         0.7694232311        0.4989173168        -1.588615206    
O        -0.2523467977        -2.547659005       -0.1660873000    
H         0.4189402617        -1.973232903        0.2694010561    
H         0.2129109304        -3.320639312       -0.4845882334    
O         -2.387952161        -2.102671402         1.532140902    
H         -2.390174006        -2.662792102         2.308387773    
H         -1.701591700        -2.467059733        0.9478565461    
O         -1.396388476        0.4379725828         1.377152187    
H         -1.836766950         1.132740875         1.865226689    
H         -1.872095753       -0.3884955557         1.580472999    
O          1.263284166       -0.6983220336         1.055638752    
H         0.5267578917       -0.1548622658         1.363794391    
H          1.653020350       -0.1773359870        0.3379756618    
O        -0.9702173281       -0.2429390681E-02    -1.481466732    
H        -0.8843654773       -0.9536734546        -1.345741728    
H         -1.266472713        0.3164689722       -0.6192473079    
    18
Energy=    -45.5715374363074    
O          1.718616051        0.5717810351        -1.385430305    
H          2.066835010         1.258053612        -1.955334560    
H         0.7677406074        0.5022598360        -1.586552720    
O        -0.2524797157        -2.547838072       -0.1665241361    
H         0.4186325821        -1.973664386        0.2696534250    
H         0.2128203792        -3.321189701       -0.4840077162    
O         -2.387995886        -2.102756140         1.532121264    
H         -2.390172181        -2.662928609         2.308335074    
H         -1.701697657        -2.467121286        0.9477560612    
O         -1.396015114        0.4377119715         1.377001083    
H         -1.836298003         1.132730836         1.864801787    
H         -1.872138623       -0.3884982038         1.580303007    
O          1.263340062       -0.6991053646         1.055687951    
H         0.5267879995       -0.1555804140         1.363903754    
H          1.653948504       -0.1779531383        0.3387092635    
O        -0.9696317246       -0.2812790406E-02    -1.481663786    
H        -0.8842940747       -0.9541118976        -1.345807706    
H         -1.266768162        0.3162965369       -0.6198835611    
    18
Energy=    -45.5459057530690    
O          1.713464278        0.5876329511        -1.375941992    
H          2.074805098         1.246830360        -1.969282574    
H         0.7611191892        0.5097632566        -1.580717081    
O        -0.2528674876        -2.548203295       -0.1677361792    
H         0.4178348147        -1.974908805        0.2703827527    
H         0.2126588078        -3.322533874       -0.4825144310    
O         -2.388088990        -2.102953644         1.532092020    
H         -2.390170325        -2.663278329         2.308206517    
H         -1.701961117        -2.467262791        0.9475048174    
O         -1.394989989        0.4370449814         1.376658097    
H         -1.835152060         1.132651617         1.863726682    
H         -1.872271821       -0.3884325721         1.579852899    
O          1.263318641       -0.7007967086         1.055845804    
H         0.5265887810       -0.1575750202         1.364479173    
H          1.656727643       -0.1795385575        0.3401746916    
O        -0.9679530371       -0.3783945523E-02    -1.482279084    
H        -0.8842437772       -0.9552962047        -1.345969799    
H         -1.267588594        0.3159144061       -0.6214141351    
    18
Energy=    -45.5414926912876    
O          1.712174846        0.5919145133        -1.373381557    
H          2.076242651         1.243780132        -1.972611467    
H         0.7603322487        0.5114779269        -1.579713898    
O        -0.2529073495        -2.548303185       -0.1678921254    
H         0.4177254089        -1.975059440        0.2704365077    
H         0.2126135905        -3.322836464       -0.4821673761    
O         -2.388141923        -2.103031867         1.532055861    
H         -2.390168542        -2.663352966         2.308173065    
H         -1.701988581        -2.467285230        0.9474657070    
O         -1.394834708        0.4369091878         1.376521043    
H         -1.834882739         1.132647216         1.863505148    
H         -1.872279921       -0.3884398040         1.579803694    
O          1.263221742       -0.7013589691         1.055946035    
H         0.5266463276       -0.1579056732         1.364590615    
H          1.657232324       -0.1801587127        0.3405712827    
O        -0.9680050961       -0.4042729374E-02    -1.482535990    
H        -0.8841012186       -0.9555017439        -1.345975043    
H         -1.267649007        0.3158216325       -0.6217233250    
    18
Energy=    -45.5355889937842    
O          1.710573760        0.5976941551        -1.370056607    
H          2.078056179         1.239686666        -1.976894719    
H         0.7593418199        0.5136390113        -1.578466490    
O        -0.2529456214        -2.548435375       -0.1680713306    
H         0.4175948882        -1.975234987        0.2704824569    
H         0.2125528188        -3.323221716       -0.4817142313    
O         -2.388215734        -2.103139288         1.532002156    
H         -2.390166012        -2.663449153         2.308129906    
H         -1.702018179        -2.467311666        0.9474191617    
O         -1.394647123        0.4367362297         1.376332397    
H         -1.834533816         1.132642066         1.863223184    
H         -1.872286224       -0.3884504753         1.579750658    
O          1.263081058       -0.7021098835         1.056082343    
H         0.5267233816       -0.1583117354         1.364746973    
H          1.657873963       -0.1810213062        0.3410871775    
O        -0.9681611940       -0.4375710078E-02    -1.482895600    
H        -0.8838913666       -0.9557630280        -1.345973783    
H         -1.267702543        0.3157000210       -0.6221154722    
    18
Energy=    -45.5176405440663    
O          1.703817882        0.6136449881        -1.360075457    
H          2.083117943         1.228277178        -1.989866326    
H         0.7589233828        0.5203501989        -1.574692678    
O        -0.2529380091        -2.548821784       -0.1684519660    
H         0.4172284207        -1.975643895        0.2704794365    
H         0.2123404689        -3.324319677       -0.4803967090    
O         -2.388455258        -2.103487975         1.531828384    
H         -2.390157683        -2.663713835         2.307990152    
H         -1.702080384        -2.467382608        0.9473003680    
O         -1.394183992        0.4362582932         1.375725144    
H         -1.833508804         1.132644786         1.862425327    
H         -1.872283658       -0.3885175199         1.579646949    
O          1.262618921       -0.7043886004         1.056461656    
H         0.5271170598       -0.1593909548         1.365120141    
H          1.659521943       -0.1837575058        0.3427587233    
O        -0.9689853770       -0.5469697689E-02    -1.483876172    
H        -0.8831597706       -0.9563176493        -1.345976629    
H         -1.267703030        0.3153100824       -0.6233321656    
    18
Energy=    -45.5148785671515    
O          1.702717531        0.6174617850        -1.357824812    
H          2.083961963         1.225484778        -1.992579935    
H         0.7587890724        0.5217926116        -1.574085523    
O        -0.2529376743        -2.548914687       -0.1685049516    
H         0.4171756228        -1.975688789        0.2704552694    
H         0.2122946542        -3.324563576       -0.4801158683    
O         -2.388515124        -2.103569486         1.531782684    
H         -2.390155351        -2.663770733         2.307960600    
H         -1.702086237        -2.467396502        0.9472781081    
O         -1.394105172        0.4361577949         1.375582010    
H         -1.833285409         1.132651787         1.862259473    
H         -1.872276660       -0.3885391956         1.579636346    
O          1.262499138       -0.7049510196         1.056580358    
H         0.5272373837       -0.1595838986         1.365178847    
H          1.659834333       -0.1843857391        0.3431311123    
O        -0.9692672563       -0.5699224524E-02    -1.484140345    
H        -0.8829673879       -0.9564420803        -1.345964864    
H         -1.267683371        0.3152299995       -0.6235603299    
    18
Energy=    -45.5103896600615    
O          1.700586967        0.6255706872        -1.353092540    
H          2.085530583         1.219487040        -1.998172102    
H         0.7585918420        0.5248241195        -1.572944178    
O        -0.2529324379        -2.549114465       -0.1685881963    
H         0.4170841781        -1.975748079        0.2703823828    
H         0.2121976399        -3.325073381       -0.4795360614    
O         -2.388645790        -2.103744298         1.531681576    
H         -2.390150138        -2.663887920         2.307899083    
H         -1.702092439        -2.467424284        0.9472347998    
O         -1.393959730        0.4359522703         1.375274480    
H         -1.832819981         1.132671649         1.861920732    
H         -1.872256702       -0.3885908877         1.579624461    
O          1.262236605       -0.7061688763         1.056850629    
H         0.5275193907       -0.1599523443         1.365280490    
H          1.660440827       -0.1857225498        0.3439182937    
O        -0.9699383086       -0.6175811411E-02    -1.484719271    
H        -0.8825391056       -0.9566936450        -1.345932817    
H         -1.267623346        0.3150646027       -0.6240135840    
    18
Energy=    -45.5082916203000    
O          1.699391460        0.6305454971        -1.350227901    
H          2.086387835         1.215772975        -2.001510472    
H         0.7584938872        0.5266712923        -1.572307753    
O        -0.2529282861        -2.549238054       -0.1686276031    
H         0.4170368931        -1.975769496        0.2703294966    
H         0.2121385016        -3.325382629       -0.4791882082    
O         -2.388727127        -2.103851789         1.531618075    
H         -2.390146844        -2.663958251         2.307862033    
H         -1.702093831        -2.467440682        0.9472097761    
O         -1.393879493        0.4358295654         1.375085108    
H         -1.832538727         1.132685982         1.861718819    
H         -1.872242412       -0.3886248926         1.579621266    
O          1.262073136       -0.7069246658         1.057024477    
H         0.5277031221       -0.1601609575         1.365332329    
H          1.660788392       -0.1865396363        0.3443978134    
O        -0.9703769947       -0.6462199269E-02    -1.485081728    
H        -0.8822692400       -0.9568437896        -1.345910218    
H         -1.267580217        0.3149655556       -0.6242771333    
    18
Energy=    -45.5065366639999    
O          1.698293077        0.6353372967        -1.347487994    
H          2.087157731         1.212173808        -2.004681666    
H         0.7584160490        0.5284526223        -1.571724382    
O        -0.2529235971        -2.549357839       -0.1686597049    
H         0.4169954624        -1.975782635        0.2702743707    
H         0.2120814915        -3.325679271       -0.4788567041    
O         -2.388806137        -2.103955576         1.531556125    
H         -2.390143621        -2.664025296         2.307826622    
H         -1.702094036        -2.467456218        0.9471863772    
O         -1.393806648        0.4357129019         1.374902149    
H         -1.832269510         1.132701002         1.861526976    
H         -1.872227596       -0.3886589954         1.579620155    
O          1.261914703       -0.7076583201         1.057196124    
H         0.5278864367       -0.1603533591         1.365376180    
H          1.661110371       -0.1873254873        0.3448593789    
O        -0.9708131153       -0.6735617650E-02    -1.485434327    
H        -0.8820054772       -0.9569863201        -1.345887083    
H         -1.267535531        0.3148711287       -0.6245244195    
    18
Energy=    -45.5025410867487    
O          1.694614260        0.6541100460        -1.337164909    
H          2.089659499         1.197891412        -2.016495167    
H         0.7581013074        0.5353875914        -1.569672525    
O        -0.2529105997        -2.549829229       -0.1687528206    
H         0.4168643149        -1.975784450        0.2700408256    
H         0.2118622406        -3.326828099       -0.4775935589    
O         -2.389116813        -2.104358474         1.531310813    
H         -2.390130736        -2.664282217         2.307691840    
H         -1.702088262        -2.467515360        0.9470991374    
O         -1.393550070        0.4352683534         1.374190658    
H         -1.831234669         1.132767734         1.860798014    
H         -1.872163806       -0.3887998904         1.579626214    
O          1.261293554       -0.7105523426         1.057900131    
H         0.5286391642       -0.1610469499         1.365503142    
H          1.662281553       -0.1903530790        0.3466431963    
O        -0.9725800973       -0.7775371631E-02    -1.486836790    
H        -0.8809610414       -0.9575400089        -1.345786917    
H         -1.267349743        0.3145141602       -0.6254331043    
    18
Energy=    -45.5014856152528    
O          1.693656980        0.6593991683        -1.334318990    
H          2.090303000         1.193848948        -2.019740596    
H         0.7580052030        0.5373341482        -1.569119301    
O        -0.2529078814        -2.549962079       -0.1687761185    
H         0.4168305284        -1.975780130        0.2699738017    
H         0.2118010744        -3.327150176       -0.4772416626    
O         -2.389204320        -2.104471396         1.531241499    
H         -2.390127069        -2.664354015         2.307654376    
H         -1.702086025        -2.467531829        0.9470750018    
O         -1.393480590        0.4351444287         1.373991070    
H         -1.830945450         1.132787286         1.860595070    
H         -1.872145331       -0.3888401985         1.579628831    
O          1.261118561       -0.7113694533         1.058102129    
H         0.5288541643       -0.1612363557         1.365534526    
H          1.662602778       -0.1911991299        0.3471429492    
O        -0.9730825173       -0.8064426099E-02    -1.487234317    
H        -0.8806662786       -0.9576961102        -1.345757682    
H         -1.267296773        0.3144151447       -0.6256824101    
    18
Energy=    -45.4993567741650    
O          1.691728880        0.6711179798        -1.328037779    
H          2.091601743         1.184858400        -2.026836834    
H         0.7577503731        0.5416590759        -1.567976549    
O        -0.2529047182        -2.550258914       -0.1688191616    
H         0.4167646000        -1.975755607        0.2698206767    
H         0.2116663089        -3.327864650       -0.4764680288    
O         -2.389399720        -2.104721819         1.531086187    
H         -2.390118743        -2.664512503         2.307572197    
H         -1.702079120        -2.467568026        0.9470224149    
O         -1.393334098        0.4348716272         1.373548016    
H         -1.830306676         1.132833314         1.860149250    
H         -1.872102568       -0.3889321021         1.579637384    
O          1.260728095       -0.7132007949         1.058563506    
H         0.5293437705       -0.1616407506         1.365590697    
H          1.663293197       -0.1930667571        0.3482535396    
O        -0.9742181539       -0.8698065350E-02    -1.488128734    
H        -0.8800066402       -0.9580451434        -1.345689330    
H         -1.267176476        0.3141985603       -0.6262192734    
    18
Energy=    -45.4935226167984    
O          1.681813652        0.7069449728        -1.308696974    
H          2.100323559         1.152537535        -2.042654452    
H         0.7535800146        0.5556015603        -1.561525207    
O        -0.2528317953        -2.551327972       -0.1695438441    
H         0.4167102024        -1.976363603        0.2690976614    
H         0.2111393131        -3.330685823       -0.4736266467    
O         -2.389806256        -2.105322432         1.530773492    
H         -2.390242532        -2.665094349         2.307281077    
H         -1.702320913        -2.467853416        0.9467336026    
O         -1.392228407        0.4338117849         1.372522288    
H         -1.828043637         1.132905071         1.858551519    
H         -1.871958234       -0.3891366030         1.579506025    
O          1.261256995       -0.7157678617         1.056278528    
H         0.5310013340       -0.1635396276         1.364907821    
H          1.663249896       -0.1945987681        0.3462747308    
O        -0.9743758695       -0.1055480910E-01    -1.489497805    
H        -0.8784399981       -0.9595082678        -1.345428737    
H         -1.267597268        0.3132264317       -0.6278849023    
    18
Energy=    -45.4942487814860    
O          1.672722410        0.7376512721        -1.293668986    
H          2.108064944         1.124015608        -2.054041673    
H         0.7499754350        0.5673927788        -1.555344306    
O        -0.2527429133        -2.552243512       -0.1702561387    
H         0.4166678993        -1.977009622        0.2684521081    
H         0.2106739697        -3.333143739       -0.4711592789    
O         -2.390113106        -2.105799228         1.530539531    
H         -2.390370526        -2.665597924         2.307029348    
H         -1.702569459        -2.468120605        0.9464708762    
O         -1.391186021        0.4328870332         1.371715709    
H         -1.826095193         1.132949626         1.857170166    
H         -1.871837777       -0.3892928402         1.579367639    
O          1.261981202       -0.7173936832         1.053749054    
H         0.5323964926       -0.1652613847         1.364219679    
H          1.662891821       -0.1952225389        0.3437456818    
O        -0.9739460738       -0.1211304304E-01    -1.490395949    
H        -0.8772082243       -0.9607792497        -1.345209036    
H         -1.268074826        0.3123548753       -0.6293162477    
    18
Energy=    -45.4981278910663    
O          1.671471424        0.7406390856        -1.293707990    
H          2.108989214         1.120252356        -2.053260167    
H         0.7494657580        0.5688531247        -1.554004374    
O        -0.2527219949        -2.552360245       -0.1704040170    
H         0.4166654622        -1.977197926        0.2683438792    
H         0.2106070559        -3.333463403       -0.4708452450    
O         -2.390113234        -2.105822833         1.530539558    
H         -2.390404979        -2.665662895         2.306996307    
H         -1.702631961        -2.468172263        0.9464251264    
O         -1.390985804        0.4327672277         1.371678987    
H         -1.825857878         1.132940990         1.857000847    
H         -1.871822688       -0.3892980281         1.579327796    
O          1.262287856       -0.7171337741         1.052972450    
H         0.5325491058       -0.1655635091         1.364044956    
H          1.662554195       -0.1945438551        0.3428939878    
O        -0.9734386229       -0.1224069560E-01    -1.490263992    
H        -0.8771262679       -0.9609245473        -1.345200799    
H         -1.268256588        0.3122050157       -0.6294691334    
    18
Energy=    -45.5004180309396    
O          1.665488277        0.7538077530        -1.286952093    
H          2.115063412         1.103248144        -2.054400495    
H         0.7453848598        0.5762231317        -1.549167520    
O        -0.2526666007        -2.553014785       -0.1710351798    
H         0.4167906107        -1.977924357        0.2677032142    
H         0.2102660704        -3.335167024       -0.4692941668    
O         -2.390144439        -2.105960126         1.530511850    
H         -2.390578673        -2.665992308         2.306829620    
H         -1.702922371        -2.468434730        0.9461995612    
O         -1.390060841        0.4321595928         1.371458291    
H         -1.824642245         1.132933181         1.856166952    
H         -1.871715523       -0.3893577022         1.579162583    
O          1.263796889       -0.7160301378         1.049177640    
H         0.5334292153       -0.1669603794         1.363098635    
H          1.660690911       -0.1912122585        0.3385665916    
O        -0.9712260899       -0.1281302629E-01    -1.489784094    
H        -0.8765521105       -0.9616887915        -1.345121905    
H         -1.269171298        0.3114576482       -0.6300513044    
    18
Energy=    -45.5018559829556    
O          1.657515741        0.7734591951        -1.276721960    
H          2.122915355         1.078098047        -2.055905110    
H         0.7399745361        0.5869859282        -1.542832011    
O        -0.2525503418        -2.554007578       -0.1718191464    
H         0.4170654802        -1.978803394        0.2666383560    
H         0.2097461960        -3.337669587       -0.4670478195    
O         -2.390224162        -2.106190926         1.530450066    
H         -2.390829853        -2.666463774         2.306576494    
H         -1.703314025        -2.468814018        0.9458813322    
O         -1.388804762        0.4312911460         1.371083888    
H         -1.822859779         1.132942646         1.854977218    
H         -1.871534784       -0.3894783277         1.578972392    
O          1.265918097       -0.7146036028         1.043794189    
H         0.5348070417       -0.1688876435         1.361708790    
H          1.657830086       -0.1865893975        0.3323199410    
O        -0.9684566637       -0.1362715927E-01    -1.489222461    
H        -0.8755379833       -0.9627248260        -1.344986188    
H         -1.270430125        0.3103570961       -0.6307997933    
    18
Energy=    -45.5056792947479    
O          1.659102265        0.7714766464        -1.277957570    
H          2.121243331         1.080815210        -2.055383139    
H         0.7408959691        0.5856990232        -1.544006537    
O        -0.2525434900        -2.553907977       -0.1716418980    
H         0.4170911692        -1.978591563        0.2666824754    
H         0.2097967215        -3.337387522       -0.4673213790    
O         -2.390231284        -2.106179029         1.530431430    
H         -2.390799136        -2.666409066         2.306608619    
H         -1.703252120        -2.468764274        0.9459296507    
O         -1.389009159        0.4313995682         1.371094234    
H         -1.823065813         1.132955774         1.855135833    
H         -1.871540192       -0.3894817110         1.579026309    
O          1.265617523       -0.7148849215         1.044518906    
H         0.5347007873       -0.1685934985         1.361870339    
H          1.658077613       -0.1872803518        0.3330966541    
O        -0.9690721707       -0.1351545677E-01    -1.489378263    
H        -0.8755473325       -0.9625575283        -1.344989264    
H         -1.270234627        0.3104805026       -0.6306482214    
    18
Energy=    -45.5121742161124    
O          1.654400043        0.7879702874        -1.269839004    
H          2.125391863         1.060244832        -2.055769634    
H         0.7376461204        0.5941521426        -1.540194174    
O        -0.2523858421        -2.554742257       -0.1720001869    
H         0.4174885987        -1.978957630        0.2655880979    
H         0.2093541721        -3.339398650       -0.4655695417    
O         -2.390349654        -2.106412781         1.530312373    
H         -2.390994260        -2.666779242         2.306408456    
H         -1.703507860        -2.469049318        0.9457091698    
O         -1.388189418        0.4307370130         1.370692197    
H         -1.821644678         1.133002381         1.854251844    
H         -1.871350753       -0.3896314533         1.578975831    
O          1.267132599       -0.7141101985         1.040543203    
H         0.5359484148       -0.1699078301         1.360781722    
H          1.655556053       -0.1840921164        0.3282819373    
O        -0.9677812972       -0.1411421350E-01    -1.489220688    
H        -0.8744033712       -0.9632317259        -1.344843620    
H         -1.271080676        0.3095945849       -0.6310398027    
    18
Energy=    -45.5146549740461    
O          1.644698209        0.8242213080        -1.253225021    
H          2.132497441         1.016061605        -2.056271379    
H         0.7333470008        0.6119012235        -1.532610377    
O        -0.2518597261        -2.556524488       -0.1722756546    
H         0.4187100756        -1.979215879        0.2627370214    
H         0.2083820326        -3.343612272       -0.4618024873    
O         -2.390734209        -2.107045836         1.529962001    
H         -2.391407171        -2.667540150         2.305943622    
H         -1.703899386        -2.469607988        0.9453048459    
O         -1.386763087        0.4294034045         1.369598698    
H         -1.818614848         1.133112278         1.852492333    
H         -1.870885514       -0.3900245578         1.579102422    
O          1.269888849       -0.7130644701         1.032536445    
H         0.5387631403       -0.1723488656         1.358746241    
H          1.649861915       -0.1784947725        0.3183431620    
O        -0.9670088251       -0.1537509709E-01    -1.489450010    
H        -0.8712708765       -0.9642438928        -1.344503067    
H         -1.272474965        0.3076722737       -0.6315606178    
    18
Energy=    -45.5195802909297    
O          1.650698294        0.8071608584        -1.261452439    
H          2.126712816         1.037699821        -2.055722637    
H         0.7377147580        0.6028736539        -1.537600255    
O        -0.2519747550        -2.555672194       -0.1716628065    
H         0.4184662629        -1.978529944        0.2636776379    
H         0.2088340038        -3.341489027       -0.4636831437    
O         -2.390673013        -2.106854742         1.530054726    
H         -2.391196580        -2.667129592         2.306135665    
H         -1.703559876        -2.469292534        0.9455605789    
O         -1.387794644        0.4301449838         1.369930450    
H         -1.820117358         1.133085461         1.853484140    
H         -1.871051027       -0.3899158480         1.579252652    
O          1.268112476       -0.7142430210         1.037034856    
H         0.5375375733       -0.1707428492         1.359958930    
H          1.652351883       -0.1823411648        0.3235770437    
O        -0.9692147090       -0.1469597089E-01    -1.489937399    
H        -0.8721739447       -0.9634025003        -1.344623584    
H         -1.271442107        0.3086184341       -0.6309162397    
    18
Energy=    -45.5231820124329    
O          1.648878671        0.8101462193        -1.260460755    
H          2.128779886         1.033890164        -2.055976012    
H         0.7364674294        0.6045159496        -1.535902999    
O        -0.2519453135        -2.555779276       -0.1718622480    
H         0.4184553867        -1.978797336        0.2635714928    
H         0.2087693013        -3.341849484       -0.4632973447    
O         -2.390651493        -2.106868644         1.530012415    
H         -2.391239194        -2.667230601         2.306126686    
H         -1.703646611        -2.469337213        0.9455233276    
O         -1.387541007        0.4299807087         1.369889047    
H         -1.819849431         1.133074053         1.853290800    
H         -1.871036213       -0.3899023589         1.579199829    
O          1.268438017       -0.7138651719         1.036071139    
H         0.5377019062       -0.1711420570         1.359792591    
H          1.652000437       -0.1815754023        0.3225943041    
O        -0.9686091036       -0.1486247172E-01    -1.489694731    
H        -0.8721061956       -0.9635462814        -1.344632992    
H         -1.271636419        0.3084230273       -0.6311763745    
    18
Energy=    -45.5262481430172    
O          1.645129327        0.8222881906        -1.255956796    
H          2.131916431         1.019426577        -2.056116344    
H         0.7349291056        0.6102144411        -1.532585553    
O        -0.2517163055        -2.556303200       -0.1719574346    
H         0.4188937545        -1.978929016        0.2626011538    
H         0.2084698629        -3.343176086       -0.4619890675    
O         -2.390784961        -2.107095893         1.529876917    
H         -2.391380291        -2.667491701         2.305972328    
H         -1.703749022        -2.469494032        0.9454098000    
O         -1.387072032        0.4295386081         1.369503156    
H         -1.818857006         1.133080710         1.852723168    
H         -1.870892186       -0.3900112771         1.579268136    
O          1.269202516       -0.7134947760         1.033396037    
H         0.5385816675       -0.1719876313         1.359282894    
H          1.650199318       -0.1799604610        0.3193645108    
O        -0.9685966270       -0.1531713206E-01    -1.489762347    
H        -0.8710275109       -0.9637798567        -1.344553978    
H         -1.272015985        0.3077663591       -0.6314084031    
    18
Energy=    -45.5288624612530    
O          1.643963234        0.8269815872        -1.254975830    
H          2.132883611         1.014366319        -2.056082930    
H         0.7348166230        0.6119938892        -1.531308372    
O        -0.2515667291        -2.556444281       -0.1718668722    
H         0.4191945660        -1.978833936        0.2621174248    
H         0.2083807226        -3.343594460       -0.4614868375    
O         -2.390874742        -2.107222749         1.529787612    
H         -2.391432331        -2.667585489         2.305908897    
H         -1.703718367        -2.469513475        0.9454028188    
O         -1.387003839        0.4294020851         1.369291190    
H         -1.818516424         1.133072046         1.852571190    
H         -1.870830744       -0.3900604143         1.579371733    
O          1.269238818       -0.7135854172         1.032607657    
H         0.5388920418       -0.1721820483         1.359290800    
H          1.649536905       -0.1798625641        0.3183488071    
O        -0.9692931536       -0.1546544070E-01    -1.489999542    
H        -0.8704280729       -0.9637223098        -1.344534450    
H         -1.272012064        0.3075304830       -0.6313751198    
    18
Energy=    -45.5351425555351    
O          1.640829481        0.8442620130        -1.253147215    
H          2.136592653        0.9970910401        -2.056030890    
H         0.7340467611        0.6174477608        -1.526943075    
O        -0.2507897638        -2.556582129       -0.1717437045    
H         0.4205589526        -1.978338436        0.2605875790    
H         0.2082460792        -3.344908213       -0.4595022896    
O         -2.391243526        -2.107750981         1.529430058    
H         -2.391650226        -2.667988342         2.305632965    
H         -1.703338552        -2.469365146        0.9454960293    
O         -1.386878748        0.4289257788         1.368561814    
H         -1.817398713         1.132977089         1.852159968    
H         -1.870687747       -0.3902474747         1.579804543    
O          1.268536822       -0.7146025756         1.030126831    
H         0.5398630375       -0.1727491237         1.359960828    
H          1.647460884       -0.1804737923        0.3153867949    
O        -0.9727584484       -0.1582748269E-01    -1.491077790    
H        -0.8681981364       -0.9633088732        -1.344668177    
H         -1.271960754        0.3067127131       -0.6309660920    
    18
Energy=    -45.5364277032378    
O          1.638788158        0.8521661847        -1.252704810    
H          2.138889844        0.9858074591        -2.056090351    
H         0.7324577339        0.6230465181        -1.526561309    
O        -0.2500493113        -2.556041082       -0.1734987306    
H         0.4206413375        -1.978488926        0.2612192923    
H         0.2087731241        -3.345836256       -0.4577027642    
O         -2.390933547        -2.107823581         1.529355194    
H         -2.391894712        -2.668651225         2.305165382    
H         -1.702589016        -2.468799034        0.9455619664    
O         -1.386231284        0.4284098247         1.369216415    
H         -1.817053294         1.132835723         1.852006665    
H         -1.871054707       -0.3903751542         1.579594301    
O          1.268203250       -0.7152726385         1.028638721    
H         0.5399668975       -0.1739982251         1.360467229    
H          1.646612792       -0.1791407302        0.3149592198    
O        -0.9712912700       -0.1531629818E-01    -1.490334654    
H        -0.8687326402       -0.9633051010        -1.345488502    
H         -1.273273302        0.3060563661       -0.6307350864    
    18
Energy=    -45.5388673803769    
O          1.642137703        0.8450659633        -1.258580873    
H          2.143536451        0.9701765766        -2.062915881    
H         0.7341506445        0.6232375909        -1.531199659    
O        -0.2472620169        -2.553943879       -0.1755371954    
H         0.4214923555        -1.974880742        0.2598129217    
H         0.2122328354        -3.345728732       -0.4526019552    
O         -2.387642727        -2.109157706         1.526673022    
H         -2.391310009        -2.673214039         2.300065907    
H         -1.697710263        -2.467845811        0.9431348279    
O         -1.387849479        0.4280524896         1.374057502    
H         -1.820274262         1.131822534         1.856375127    
H         -1.871959751       -0.3914436077         1.583248823    
O          1.265909404       -0.7117271141         1.032629975    
H         0.5361812614       -0.1736076635         1.365874122    
H          1.640702694       -0.1748383291        0.3177113537    
O        -0.9749574640       -0.7777379461E-02    -1.488811944    
H        -0.8720813338       -0.9565879273        -1.350639435    
H         -1.274065986        0.3076716005       -0.6262284610    
    18
Energy=    -45.5399131235169    
O          1.642408338        0.8470145195        -1.259763478    
H          2.147226843        0.9470387080        -2.065085674    
H         0.7331868151        0.6248578361        -1.530144719    
O        -0.2456485961        -2.552147446       -0.1764713416    
H         0.4216274492        -1.971578495        0.2592733573    
H         0.2155131852        -3.344371055       -0.4501440356    
O         -2.386176949        -2.111015675         1.524478839    
H         -2.390162276        -2.678027162         2.295675107    
H         -1.695660859        -2.467538055        0.9402407047    
O         -1.390003025        0.4283326299         1.377047945    
H         -1.823419805         1.130453106         1.860787791    
H         -1.872316578       -0.3926695976         1.584877999    
O          1.264282563       -0.7079955863         1.031261624    
H         0.5352828761       -0.1698995544         1.366161368    
H          1.638910245       -0.1710967267        0.3158611686    
O        -0.9756678595       -0.4310362549E-02    -1.486828218    
H        -0.8750210767       -0.9535719063        -1.350655501    
H         -1.273131234        0.3117986471       -0.6235047584    
    18
Energy=    -45.5409240869125    
O          1.645307786        0.8382474749        -1.263802213    
H          2.149131046        0.9394861972        -2.069840556    
H         0.7350920275        0.6191969879        -1.532857036    
O        -0.2442312640        -2.548220332       -0.1774247455    
H         0.4214343484        -1.967372478        0.2606424443    
H         0.2190535409        -3.338430643       -0.4530364507    
O         -2.385773685        -2.112681589         1.522513217    
H         -2.389727790        -2.680791324         2.292955352    
H         -1.695105915        -2.468273932        0.9378244970    
O         -1.393081428        0.4290653857         1.379376521    
H         -1.828410034         1.128117853         1.865882966    
H         -1.873389708       -0.3937062614         1.584618489    
O          1.264160154       -0.7051962442         1.033794924    
H         0.5345070905       -0.1655284015         1.364858623    
H          1.640904582       -0.1712847868        0.3175779452    
O        -0.9770451981       -0.2018405246E-02    -1.483714322    
H        -0.8763100506       -0.9509786488        -1.344921582    
H         -1.275285450        0.3156429724       -0.6213798946    
    18
Energy=    -45.5414777298028    
O          1.646003651        0.8361485925        -1.266600618    
H          2.149062895        0.9279873389        -2.074201915    
H         0.7345606226        0.6188420515        -1.532811461    
O        -0.2419210278        -2.545917613       -0.1764849229    
H         0.4239017548        -1.965548454        0.2619052955    
H         0.2223340778        -3.332933063       -0.4594005065    
O         -2.387464490        -2.113575607         1.520387593    
H         -2.393625670        -2.681425785         2.290953172    
H         -1.695288554        -2.469207614        0.9376872760    
O         -1.393627108        0.4281676022         1.381386034    
H         -1.828714650         1.126467237         1.869207485    
H         -1.874307187       -0.3947740568         1.585163287    
O          1.265177519       -0.7022602030         1.035541520    
H         0.5348516685       -0.1638968399         1.367390772    
H          1.639733786       -0.1682394100        0.3181831176    
O        -0.9773540644       -0.1850052068E-02    -1.482706879    
H        -0.8752672916       -0.9502733971        -1.340988570    
H         -1.276825878        0.3175630976       -0.6215425000    
