          40
Energy        -1444.677791
 X -0.732742085959045        3.20843925113556      -0.246716885648370     
 O   1.49909453510851        1.52113436746084       -3.62712720685164     
 H   1.60294570408383       0.611103254988625       -3.90513826402633     
 H   2.01364653135410        2.02492737324704       -4.25773063957059     
 O  0.982080221279672        4.12314871337377        1.31473513937897     
 H   1.19591506688854        3.99877833391600        2.23941806146270     
 H   1.52747684333912        4.85996807141507        1.03928714585189     
 O  -2.76350583512122        5.09684396931564        3.15404653833504     
 H  -2.32846950279489        5.54277354606361        3.88076659517522     
 H  -3.69743609199877        5.17667855175579        3.34803765568734     
 O   1.46433681431887        2.18388654848341      -0.912748688716133     
 H   2.29213080594073        2.01126283420431      -0.464206606432228     
 H   1.62588633868654        1.92898416192567       -1.82113096693390     
 O  -3.14923624287600        2.97722236906696      -0.801648423798304     
 H  -3.42671012035730        2.60726745732764       -1.63972565739422     
 H  -3.95355646727165        3.32121971007591      -0.413104160060873     
 O  -3.55200678229798        1.99267794907025       -3.37959725237514     
 H  -3.89449933517886        1.11197046192508       -3.53219152547843     
 H  -3.98483903968555        2.53594125854058       -4.03819656335600     
 O  -1.64668766064386        2.78723796388337        2.03572616335016     
 H  -2.06401286621865        3.43244692862290        2.60649485860951     
 H  -1.92678782606298        1.94115335619264        2.38489170122201     
 O  -1.83064307108314        5.33232634754308       0.530572885748166     
 H  -2.17655577697936        5.40283855303573        1.42029434084098     
 H  -1.96156012493483        6.20192674917283       0.152567984493548     
 O  0.325544397931013        5.06723485511463       -1.52747835454148     
 H  0.293792794334916        5.37371459680559       -2.43373099176714     
 H   1.02801727896075        5.57846439962366       -1.12572215593936     
 O  -2.24298803873735       9.407319746102304E-002   2.44793542325887     
 H  -1.76653997060891      -0.405568115911019        3.11094947682402     
 H  -3.13277845967834      -0.257677363365794        2.47579917455020     
 O  -1.00599968229494       0.749521182540514       3.596103830854833E-002
 H  -1.45700099502557       0.390897085086052       0.800302854197599     
 H -0.620420197661911      -1.327690433662035E-002 -0.394967469176232     
 O -0.917193682618460        2.53108627875979       -2.64033841774150     
 H -0.215616923758249        2.17016914600572       -3.18233538598775     
 H  -1.72234278657917        2.29176704414241       -3.09935155830478     
 O   2.29542549220855        6.23704079318046       5.979068442844284E-002
 H   3.22180471896288        6.16467509284180      -0.170027879941132     
 H   2.19543603261526        7.13591448908080       0.373255236914128     
