42
E = -960.139380591
O         -1.13336       -3.79506       -0.20472
C         -0.95491       -2.59775       -0.22967
O          0.26032       -2.10756       -0.60750
C         -2.01348       -1.56805        0.13645
C          0.42039       -0.67016       -0.75384
H         -2.71597       -2.11967        0.77885
C         -2.80581       -1.15704       -1.11757
C         -1.40179       -0.44678        1.01211
H         -0.19916       -0.35165       -1.60643
O          1.74221       -0.44938       -1.12524
C         -0.02791        0.09009        0.50680
H         -2.21791       -0.57124       -1.83677
H         -3.16329       -2.05937       -1.63234
H         -3.68357       -0.56107       -0.83692
H         -1.13961       -0.95294        1.95435
C         -2.37631        0.67951        1.38440
C          2.59543       -0.06832       -0.01102
O          0.89800       -0.16122        1.60789
C         -0.02384        1.62507        0.27077
H         -2.00184        1.13811        2.31237
H         -3.35093        0.23922        1.64769
C         -2.55460        1.78453        0.33056
O          2.16682       -0.75364        1.14124
C          3.97492       -0.62680       -0.30358
C          2.55777        1.46537        0.15469
H         -0.07446        2.05921        1.28590
C         -1.28438        2.06835       -0.49891
C          1.27812        2.11360       -0.37892
H         -2.84570        2.71002        0.85387
H         -3.38491        1.55478       -0.35230
H          4.27201       -0.31625       -1.31353
H          3.94997       -1.72258       -0.26125
H          4.70180       -0.24370        0.42373
H          3.41453        1.88726       -0.39161
H          2.70797        1.69134        1.22049
H         -1.32782        1.46586       -1.42473
C         -1.25424        3.53837       -0.92304
H          1.35659        3.20147       -0.23893
H          1.23052        1.94390       -1.46639
H         -0.45375        3.75321       -1.64326
H         -2.20897        3.81621       -1.39376
H         -1.11349        4.19287       -0.04798
