40
Energy =
C    -2.1454893   -0.1377170   -0.7306273 
C    -3.1267149   -0.5362499    0.1711264 
C    -3.5954128   -1.8448019    0.1779308 
C    -3.0920008   -2.7946363   -0.7093357 
C    -2.1071201   -2.3896471   -1.6125548 
C    -1.6412467   -1.0831549   -1.6235894 
C    -3.5696212   -4.2216542   -0.6713034 
C    -1.6124098    1.2814017   -0.7104469 
N    -0.1777450    1.3061605   -0.3833570 
C    -1.8345660    2.0905732   -1.9657281 
C    -2.5692059    1.7395791   -3.0126816 
C     0.2473846    1.2533780    0.9068924 
O    -0.5064753    1.3113296    1.8628806 
C     1.7364736    1.1314760    1.1195915 
C     2.6828404    1.5243515    0.1783028 
C     4.0322766    1.4028798    0.4790379 
C     4.4801190    0.9002311    1.6876166 
C     3.5151341    0.5182607    2.6061143 
C     2.1598512    0.6315902    2.3505021 
N     3.9581679   -0.0261255    3.9140763 
O     5.1592039   -0.0964763    4.1123383 
O     3.0925490   -0.3662549    4.7008586 
N     5.0291565    1.8360805   -0.5285450 
O     6.2069031    1.7343458   -0.2351940 
O     4.6027094    2.2649739   -1.5890835 
H    -3.5171376    0.1780992    0.8850170 
H    -4.3585008   -2.1333614    0.8905254 
H    -1.7030208   -3.1065910   -2.3171160 
H    -0.8850517   -0.7946585   -2.3436375 
H    -4.6090840   -4.2847809   -0.3484165 
H    -3.4866778   -4.6977905   -1.6486742 
H    -2.9734792   -4.8104598    0.0308274 
H    -2.0948236    1.8086835    0.1146177 
H     0.4575067    1.0431692   -1.1183840 
H    -1.3514571    3.0629928   -1.9494562 
H    -2.6960025    2.4109144   -3.8514731 
H    -3.0727909    0.7835736   -3.0648474 
H     2.4037004    1.9504136   -0.7732539 
H     5.5316991    0.8138829    1.9069280 
H     1.4303585    0.3460192    3.0925210 
