29
E = -1013.75013892
H         -1.22348        3.91504        0.55221
O         -1.44205        3.21069       -0.08034
C         -1.90051        2.08261        0.66381
C         -2.30975        0.99950       -0.32668
H         -2.79112        2.33226        1.27127
H         -1.11795        1.70578        1.34808
H         -3.12870        1.36996       -0.95922
O         -1.24304        0.63717       -1.23754
C         -2.70828       -0.30081        0.36138
C         -0.53853       -0.49583       -0.78344
H         -3.09338       -0.14867        1.38673
O         -3.63354       -0.97937       -0.46500
C         -1.35404       -1.04526        0.43028
H         -0.50069       -1.27231       -1.56145
N          0.84983       -0.14658       -0.45388
H         -3.60886       -1.92281       -0.22060
F         -1.54401       -2.39638        0.37599
F         -0.73206       -0.76577        1.62231
C          1.76433       -1.25432       -0.31658
C          1.26062        1.14010       -0.33781
O          1.31091       -2.38625       -0.45907
N          3.06631       -0.95239       -0.04356
H          0.50575        1.90845       -0.51172
C          2.56362        1.42339       -0.04886
C          3.44888        0.30830        0.09868
H          2.90144        2.45389        0.04111
N          4.75688        0.52073        0.41932
H          5.16010        1.44420        0.33375
H          5.37402       -0.28289        0.37288
