PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclohexanamine
513 Cyclohexanamine
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ΔHf: -25.1 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
Cyclohexanamine
H=-25.07 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.48450207 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54322766 +1 108.4869008 +1 0.0000000 +0 2 1 0
C 1.53199581 +1 110.0572959 +1 -176.5472882 +1 3 2 1
C 1.53455551 +1 110.7129617 +1 57.5373112 +1 4 3 2
C 1.53440445 +1 110.7502127 +1 -57.0074002 +1 5 4 3
C 1.53174112 +1 110.6458856 +1 57.1221850 +1 6 5 4
H 1.00509575 +1 112.1665541 +1 -179.0017331 +1 1 2 3
H 1.00512617 +1 112.2451410 +1 123.4599053 +1 1 2 8
H 1.11955809 +1 111.6037565 +1 120.3491886 +1 2 1 3
H 1.10336778 +1 110.5378038 +1 -122.3544655 +1 3 2 4
H 1.10776341 +1 109.2430110 +1 -116.1813400 +1 3 2 11
H 1.10603598 +1 110.0607028 +1 -121.8035209 +1 4 3 5
H 1.10549380 +1 109.9755906 +1 -116.3876134 +1 4 3 13
H 1.10466670 +1 110.1506005 +1 -122.1782924 +1 5 4 6
H 1.10657082 +1 109.7212732 +1 -116.4638861 +1 5 4 15
H 1.10587990 +1 109.9497969 +1 -121.9207963 +1 6 5 7
H 1.10545830 +1 110.0318969 +1 -116.3679526 +1 6 5 17
H 1.10344120 +1 110.5748349 +1 -179.9813697 +1 7 6 5
H 1.10745110 +1 110.6500021 +1 -116.9753934 +1 7 6 19