29
E = -1013.75284491
H         -2.85170        3.32308        0.44186
O         -2.50277        2.41916        0.38276
C         -3.01519        1.82395       -0.80919
C         -2.45535        0.42336       -0.94202
H         -2.72486        2.40037       -1.70624
H         -4.11924        1.74903       -0.78599
H         -2.94950       -0.07407       -1.79594
O         -1.03763        0.51483       -1.19522
C         -2.65765       -0.48779        0.28726
C         -0.35721       -0.53438       -0.51759
H         -3.19498        0.02735        1.10143
O         -3.32196       -1.66289       -0.14659
C         -1.21303       -0.77402        0.74492
H         -0.30973       -1.47354       -1.09482
N          1.00855       -0.13853       -0.27894
H         -3.23165       -2.33169        0.55649
F         -1.06860       -2.04597        1.23678
F         -0.86460        0.08430        1.75771
C          2.06039       -1.09257       -0.59622
C          1.29095        1.10999        0.18379
O          1.74290       -2.19366       -1.02950
N          3.34128       -0.68003       -0.37320
H          0.43379        1.76167        0.34962
C          2.57848        1.49871        0.39075
C          3.59473        0.53366        0.09264
H          2.80932        2.50036        0.74752
N          4.90471        0.86524        0.25654
H          5.58726        0.12480        0.13795
H          5.16737        1.69599        0.76921
