          43
****> Energy         -967.003696 
 X   1.67814638104976       0.394133199456580      -0.454510497499394     
 O   5.11723632782811       0.286969522920664        1.59941209320496     
 H   5.45922617894579       0.636557650174197       0.776573760424930     
 H   5.69051795357492       0.653563355506354        2.27260521435787     
 O   4.09004961575583       -2.26077328246827        1.40294753325796     
 H   4.51508198477650       -1.41030029867907        1.51374025867680     
 H   4.32029686074164       -2.74892782008114        2.19346836945443     
 O   1.37776178300495       -3.20630727252039       -2.14754976509404     
 H   2.29648209343791       -3.18083421777638       -1.88008770506248     
 H   1.38055908513437       -3.69721316349964       -2.96927686102006     
 O  0.540035510021258      -0.552335288685912       -1.97895328637451     
 H  0.857223695061670       -1.43267028249040       -2.18053154122946     
 H -0.348242682759110      -0.687057071826154       -1.64873558204189     
 O   3.97986344437583       -2.90188110953299       -1.27442963808273     
 H   4.07681219419726       -2.81027811450643      -0.326568007839911     
 H   4.76228130739711       -3.37909678484487       -1.55068916414146     
 O   5.65381797321472        1.37389158243951      -0.882727689087257     
 H   5.12635970285531        2.17061900863141      -0.939692768385274     
 H   6.42777855865646        1.55994439411444       -1.41433017433999     
 O   1.59379475780897       -1.25797780119073       0.757403714677555     
 H   2.39613077985138       -1.65844088474405        1.09224407264008     
 H  0.974377700591219       -1.98432629807672       0.686889821184795     
 O   2.72853171252390        1.53955557659472       0.912766606321775     
 H   3.08677694242053        2.32300054093268       0.495506277526715     
 H   3.48613942736540        1.11336801189721        1.31354902732623     
 O  -1.72712279662002      -0.987598178771663      -0.433790259657873     
 H  -1.37886707154805       -1.83516207854438      -0.157049903668705     
 H  -2.66720652231143       -1.13614833280991      -0.535806333399760     
 O   1.47857538081647        2.11934334662222       -1.76563078729086     
 H  0.657734042467580        2.31412281427220       -1.31340043103872     
 H   1.22302968903694        1.55224067470189       -2.49317652316600     
 O   3.42873659110419      -0.194908815018299       -1.38567283557192     
 H   3.69166669383947       -1.11130615966718       -1.47120357082213     
 H   4.25378758718808       0.287846636950267       -1.33597508580444     
 O -0.145292345758049        1.17574845427193       0.302376099770892     
 H -7.229390565406246E-002   1.32417197109846        1.24517699405959     
 H -0.834235474349268       0.516891931151917       0.215789227870472     
 O -0.220264156222357       -3.24659515031932       9.934596046728572E-002
 H -0.416194652744406       -4.12474831001692       0.425980477201336     
 H  0.271914300723722       -3.39514324008109      -0.708073181256920     
 O   3.77782675322635        3.38194567898363      -0.902946448718835     
 H   3.01099534744127        3.08400611145708       -1.39226582099027     
 H   3.76365722697728        4.33493158988807      -0.991540562630935     
