46
Energy =
C    -1.3300421    1.4369168   -0.8340332 
C    -2.2764206    1.1604980   -1.8071118 
C    -1.9442364    1.3458940   -3.1710255 
C    -0.7040983    1.7674029   -3.5560347 
C     0.2852898    2.0615784   -2.5920683 
C    -0.0352901    1.9207234   -1.2065221 
C     1.5786296    2.4911323   -2.9776482 
C     2.5361587    2.7834669   -2.0440397 
C     2.2210257    2.6826770   -0.6743271 
C     0.9758239    2.2731028   -0.2708864 
C    -3.6542310    0.6413966   -1.4752724 
C    -1.6546583    1.1347760    0.6247124 
N    -0.7317514    0.1312673    1.1749832 
C    -1.7726761    2.3162366    1.5556992 
C    -1.8411777    3.5883924    1.1894862 
C    -0.9509217   -1.1950681    0.9993972 
C     0.1999522   -2.1081599    1.3386025 
O    -2.0063391   -1.6594377    0.5986255 
C    -0.1064150   -3.4218578    1.6906120 
C     0.9224011   -4.3054291    1.9666353 
C     2.2574074   -3.9413723    1.8873504 
C     2.5323838   -2.6365781    1.5204783 
C     1.5319071   -1.7152583    1.2449468 
N     0.5922676   -5.6999123    2.3536298 
O     1.5243465   -6.4515674    2.5842302 
O    -0.5867479   -5.9999505    2.4149224 
N     3.9471016   -2.2092189    1.4094470 
O     4.1586178   -1.0415755    1.1240595 
O     4.8054023   -3.0493480    1.6131608 
H    -2.6934102    1.1268965   -3.9208821 
H    -0.4642799    1.8803177   -4.6060761 
H     1.7973648    2.5832930   -4.0344270 
H     3.5230687    3.1031651   -2.3502712 
H     2.9649395    2.9433564    0.0668250 
H     0.7550606    2.2776264    0.7857172 
H    -3.5979059   -0.3218690   -0.9644866 
H    -4.2001202    1.3309965   -0.8281096 
H    -4.2422350    0.5068835   -2.3816004 
H    -2.6187009    0.6323218    0.6556544 
H     0.1805432    0.4385815    1.4603473 
H    -1.8659682    2.0463515    2.6035468 
H    -1.9881474    4.3730543    1.9191870 
H    -1.7521557    3.8869356    0.1530225 
H    -1.1366174   -3.7403573    1.7338857 
H     3.0460728   -4.6455281    2.0956413 
H     1.8187820   -0.7227525    0.9300161 
