40
Energy =
C    -2.0602599   -0.1901676   -1.2465333 
C    -2.0319583   -1.3066001   -2.0797937 
C    -2.7540739   -2.4485081   -1.7554412 
C    -3.5243632   -2.5104514   -0.5939368 
C    -3.5485174   -1.3879040    0.2350368 
C    -2.8292118   -0.2445212   -0.0849093 
C    -4.3239636   -3.7419529   -0.2628056 
C    -1.2168190    1.0470679   -1.5238063 
N     0.0608656    0.9461466   -0.8186271 
C    -1.0383930    1.3370388   -2.9903674 
C     0.0959619    1.6430048   -3.6054934 
C     0.3088267    1.6018360    0.3402169 
O    -0.4449859    2.4319767    0.8219442 
C     1.6068926    1.2678611    1.0359018 
C     2.1029999    2.2133696    1.9333541 
C     3.2736218    1.9471926    2.6215479 
C     3.9728729    0.7605346    2.4693891 
C     3.4514930   -0.1657480    1.5846497 
C     2.2863074    0.0649898    0.8667310 
N     4.1610256   -1.4548146    1.4041783 
O     5.1719105   -1.6370340    2.0585650 
O     3.6854160   -2.2490708    0.6082721 
N     3.8032247    2.9628725    3.5660658 
O     4.8265473    2.6857823    4.1681023 
O     3.1806982    4.0042615    3.6757650 
H    -1.4441879   -1.2862131   -2.9891990 
H    -2.7180865   -3.3068005   -2.4156022 
H    -4.1374867   -1.4092051    1.1439321 
H    -2.8523888    0.6127903    0.5768077 
H    -3.7823133   -4.6500569   -0.5305203 
H    -4.5624089   -3.7885944    0.7996903 
H    -5.2681371   -3.7524311   -0.8130500 
H    -1.7218321    1.9027578   -1.0718627 
H     0.7085053    0.2526912   -1.1509748 
H    -1.9614180    1.2946435   -3.5585848 
H     0.1134450    1.8590866   -4.6649156 
H     1.0398016    1.7093138   -3.0794621 
H     1.5651103    3.1359366    2.0899586 
H     4.8790501    0.5664273    3.0197883 
H     1.9262290   -0.7175082    0.2159886 
