46
Energy =
C    -1.2929294    1.4826550   -1.0847056 
C    -2.2660641    1.1408882   -2.0100937 
C    -2.0105332    1.3397622   -3.3891995 
C    -0.8237244    1.8465522   -3.8348448 
C     0.1875197    2.2143460   -2.9199633 
C    -0.0522051    2.0476580   -1.5208749 
C     1.4229166    2.7435571   -3.3649616 
C     2.3994023    3.1081252   -2.4764578 
C     2.1655554    2.9700851   -1.0941617 
C     0.9781792    2.4604490   -0.6326577 
C    -3.5993644    0.5502161   -1.6166685 
C    -1.5369684    1.1995343    0.3975713 
N    -0.6101084    0.1882014    0.9082726 
C    -1.5794530    2.4379746    1.2639975 
C    -1.1211383    2.5447895    2.5034617 
C    -0.9503673   -1.1231984    0.9841366 
C     0.1488759   -2.0664230    1.4095037 
O    -2.0664918   -1.5527032    0.7407452 
C     1.2684763   -1.6630446    2.1313263 
C     2.2152394   -2.6071889    2.5029553 
C     2.0933013   -3.9464081    2.1789212 
C     0.9682094   -4.3194502    1.4611200 
C    -0.0056121   -3.4123692    1.0801857 
N     3.3971504   -2.1656733    3.2804954 
O     4.2069284   -3.0160043    3.6043131 
O     3.4816745   -0.9765843    3.5438530 
N     0.8063515   -5.7483593    1.0932653 
O    -0.1660047   -6.0468842    0.4229279 
O     1.6586233   -6.5266282    1.4862760 
H    -2.7776390    1.0663769   -4.1023503 
H    -0.6447183    1.9739730   -4.8952704 
H     1.5810888    2.8573534   -4.4305053 
H     3.3399842    3.5098430   -2.8287940 
H     2.9241923    3.2806085   -0.3874898 
H     0.8176120    2.4239381    0.4340253 
H    -3.4782427   -0.3766960   -1.0541432 
H    -4.1766860    1.2373242   -0.9941093 
H    -4.1963191    0.3328196   -2.5008266 
H    -2.5150045    0.7338701    0.4856159 
H     0.3660189    0.4301962    0.9131962 
H    -2.0717186    3.2831610    0.7949633 
H    -1.2289293    3.4649870    3.0609003 
H    -0.6291936    1.7208809    3.0046418 
H     1.4165120   -0.6388031    2.4374020 
H     2.8373587   -4.6679785    2.4744352 
H    -0.8817545   -3.7357291    0.5395703 
