PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclopentanecarbonitrile
510 Cyclopentanecarbonitrile
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ΔHf: 11.7 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Cyclopentanecarbonitrile
H=11.7 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54555623 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53753107 +1 105.3771426 +1 0.0000000 +0 2 1 0
C 1.54198771 +1 107.1817689 +1 -19.1814804 +1 3 2 1
C 1.53778308 +1 107.2277298 +1 0.4328091 +1 4 3 2
C 1.44594081 +1 111.5906850 +1 151.5934708 +1 1 2 3
N 1.15643835 +1 144.2702824 +1 179.6204296 +1 6 2 1
H 1.12234320 +1 109.4257625 +1 121.7549799 +1 1 2 6
H 1.10493106 +1 110.8156517 +1 -119.7722203 +1 2 1 3
H 1.10089411 +1 111.6482231 +1 -118.2726749 +1 2 1 9
H 1.10228047 +1 111.0213818 +1 -121.6915338 +1 3 2 4
H 1.10328317 +1 110.8320502 +1 -117.5041997 +1 3 2 11
H 1.10233240 +1 111.2303917 +1 -121.5194385 +1 4 3 5
H 1.10321097 +1 110.6123264 +1 -117.4863325 +1 4 3 13
H 1.10484317 +1 110.6577599 +1 -101.4479744 +1 5 4 3
H 1.10094700 +1 112.0637381 +1 -118.4437742 +1 5 4 15