29
E = -1013.75150634
H         -4.67713       -0.78280       -0.10884
O         -4.54394       -1.57778        0.44145
C         -3.15630       -1.88727        0.43580
C         -2.31519       -0.63102        0.59652
H         -2.85093       -2.40908       -0.49361
H         -2.97350       -2.56671        1.28056
H         -2.65919       -0.06907        1.48711
O         -0.92853       -0.97398        0.71488
C         -2.35255        0.30315       -0.61866
C         -0.19937        0.25008        0.56375
H         -2.28459       -0.30655       -1.54077
O         -3.52415        1.09232       -0.59390
C         -1.01016        1.06232       -0.49365
H         -0.17103        0.83748        1.49754
N          1.16791       -0.03651        0.23465
H         -3.49678        1.72727       -1.33134
F         -1.19072        2.35289       -0.08642
F         -0.36976        1.12067       -1.71414
C          2.20909        0.59663        1.03872
C          1.47518       -0.90728       -0.76490
O          1.87177        1.36299        1.93144
N          3.49602        0.27742        0.72440
H          0.63177       -1.35738       -1.28657
C          2.76799       -1.20535       -1.06107
C          3.77104       -0.56060       -0.26360
H          3.01291       -1.90277       -1.85936
N          5.08381       -0.79575       -0.51988
H          5.37253       -1.51082       -1.17289
H          5.76635       -0.39035        0.11056
