42
E = -960.138458156
O          0.31138        3.82781        0.26677
C          0.47865        2.65697        0.01161
O         -0.46367        1.98882       -0.71661
C          1.74531        1.88151        0.32998
C         -0.40019        0.54517       -0.85955
H          2.25648        2.46561        1.10783
C          2.62422        1.95652       -0.93622
C          1.45655        0.47279        0.91880
H          0.25710        0.30782       -1.71203
O         -1.67929        0.12183       -1.21899
C          0.11621       -0.13161        0.41597
H          2.14498        1.50492       -1.81565
H          2.81648        3.01227       -1.17110
H          3.59255        1.46334       -0.78123
H          1.26803        0.64337        1.99050
C          2.64007       -0.50308        0.81459
C         -2.52256       -0.17765       -0.06433
O         -0.80875        0.17499        1.50860
C          0.18162       -1.67793        0.28731
H          2.60893       -1.20286        1.66526
H          3.58281        0.05433        0.92367
C          2.61153       -1.29608       -0.48784
O         -2.12605        0.63073        1.01637
C         -3.92317        0.29345       -0.40594
C         -2.42401       -1.67909        0.26949
H          0.33817       -2.00073        1.33229
C          1.37577       -2.21615       -0.54865
C         -1.12544       -2.31930       -0.21248
H          3.52594       -1.90083       -0.59015
H          2.60934       -0.60386       -1.34115
H         -4.21049       -0.13760       -1.37366
H         -3.93931        1.38739       -0.48356
H         -4.63329       -0.03555        0.36342
H         -3.26726       -2.19793       -0.21050
H         -2.55317       -1.78495        1.35633
H          1.04222       -2.27543       -1.59878
C          1.73752       -3.63449       -0.09269
H         -1.13066       -3.38034        0.07800
H         -1.12506       -2.30007       -1.31297
H          2.50821       -4.06902       -0.74556
H          0.87056       -4.30941       -0.10500
H          2.13622       -3.62015        0.93440
