E=-595.875888538 Eh
H=-595.623162 Eh
G=-595.684602 Eh
29
0 3
C         0.722963   -0.885420   -0.324020
C         2.070663   -1.167460   -0.285366
C         3.002082   -0.142364   -0.040737
C         2.551128    1.173709    0.163789
C         1.204572    1.463964    0.128325
C         0.250751    0.437498   -0.116234
C        -1.127356    0.720535   -0.147549
H         2.424896   -2.180117   -0.444660
H         0.010069   -1.679841   -0.520191
H         0.853903    2.477039    0.287472
H         3.275917    1.958918    0.351127
C        -2.772515   -1.410573   -0.250272
H        -2.050163   -0.341943   -0.288436
H        -2.261836   -2.053646   -0.974085
C        -4.178307   -1.064989   -0.690316
H        -4.193738   -0.610682   -1.684894
H        -4.798451   -1.968923   -0.729731
H        -4.656935   -0.376425    0.013364
C        -2.636041   -1.900432    1.174691
H        -3.169294   -2.847777    1.317748
H        -1.588476   -2.056982    1.447074
H        -3.060707   -1.173842    1.875657
O        -1.573258    1.966531    0.027995
C        -2.981855    2.112570    0.127785
H        -3.175376    3.173218    0.280588
H        -3.469112    1.773922   -0.792150
H        -3.366062    1.538402    0.978190
C         4.403222   -0.438484   -0.000797
N         5.536511   -0.679269    0.031882