PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
pyrrolidine
488 Pyrrolidine
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ΔHf: -0.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Pyrrolidine
H=-0.8 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54000450 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54855650 +1 105.5045539 +1 0.0000000 +0 2 1 0
C 1.54828716 +1 105.4978638 +1 -0.0026328 +1 1 2 3
N 1.48502170 +1 107.8797087 +1 -16.5080991 +1 4 1 2
H 1.10015690 +1 111.5933778 +1 120.8019501 +1 1 2 3
H 1.10057849 +1 111.2023431 +1 -120.6039068 +1 1 2 3
H 1.10022969 +1 111.5781219 +1 -120.7450882 +1 2 1 3
H 1.10053754 +1 111.2177241 +1 120.6553080 +1 2 1 3
H 1.11082284 +1 110.7495248 +1 -100.7880288 +1 3 2 1
H 1.10351371 +1 112.3980871 +1 139.3667854 +1 3 2 1
H 1.11089417 +1 110.7187838 +1 100.7233112 +1 4 1 2
H 1.10345387 +1 112.4190239 +1 -139.4393580 +1 4 1 2
H 1.01741942 +1 110.8468363 +1 -93.2370144 +1 5 4 1