29
E = -1013.74712568
H         -0.97543        3.88646        0.60110
O         -1.28266        3.21899       -0.03493
C         -1.73070        2.08241        0.70517
C         -2.25745        1.05325       -0.28491
H         -0.92001        1.65493        1.32204
H         -2.56710        2.34562        1.38002
H         -3.06900        1.50769       -0.87076
O         -1.27063        0.61853       -1.26167
C         -2.72243       -0.24644        0.37387
C         -0.55976       -0.50899       -0.78714
H         -3.10506       -0.11185        1.39454
O         -3.74042       -0.90124       -0.35399
C         -1.39422       -1.05532        0.42190
H         -0.51745       -1.28865       -1.56196
N          0.82899       -0.16306       -0.45767
H         -3.43727       -1.01801       -1.27286
F         -1.61387       -2.38705        0.33647
F         -0.75672       -0.80558        1.61740
C          1.72938       -1.28046       -0.29161
C          1.26506        1.11936       -0.40386
O          1.26362       -2.40794       -0.42441
N          3.03094       -0.98981       -0.00587
H          0.52861        1.89574       -0.61574
C          2.57163        1.39153       -0.12023
C          3.43400        0.26864        0.09149
H          2.92816        2.41883       -0.07840
N          4.73933        0.47159        0.42650
H          5.15996        1.38480        0.31859
H          5.34294       -0.34347        0.42980
