29
E = -1013.75559387
H         -1.98463        2.63571        0.13270
O         -2.94418        2.47035        0.15337
C         -3.22777        1.63717       -0.96473
C         -2.44266        0.33909       -0.93576
H         -3.02434        2.15717       -1.91903
H         -4.30221        1.40540       -0.92587
H         -2.71680       -0.29008       -1.80313
O         -1.03679        0.67415       -1.00462
C         -2.63498       -0.52184        0.33257
C         -0.32796       -0.43019       -0.43602
H         -3.16194        0.04047        1.12269
O         -3.31124       -1.70676       -0.04092
C         -1.18131       -0.77194        0.80031
H         -0.31189       -1.31052       -1.10283
N          1.04707       -0.08350       -0.21128
H         -3.32310       -2.30392        0.72821
F         -0.97888       -2.04682        1.24706
F         -0.88622        0.07123        1.85339
C          2.06655       -0.97198       -0.76717
C          1.38850        1.06661        0.43235
O          1.70285       -1.97136       -1.37284
N          3.36415       -0.61536       -0.55458
H          0.56416        1.68748        0.77580
C          2.69208        1.40738        0.61518
C          3.67051        0.49767        0.09461
H          2.96214        2.33137        1.12217
N          4.99141        0.77942        0.23804
H          5.65743        0.08188       -0.07427
H          5.30570        1.53851        0.82642
