PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclohexamethylenimine
512 Cyclohexamethylenimine
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ΔHf: -10.8 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
Cyclohexamethylenimine
H=-10.8 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47439363 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54489963 +1 116.4028179 +1 0.0000000 +0 2 1 0
C 1.53263895 +1 114.7409619 +1 -33.6494554 +1 3 2 1
C 1.53550848 +1 113.4248356 +1 -44.6033009 +1 4 3 2
C 1.53312378 +1 111.8076598 +1 91.0970842 +1 5 4 3
C 1.47498820 +1 113.3209695 +1 87.3396383 +1 1 2 3
H 1.01728388 +1 110.8765462 +1 -125.4688381 +1 1 2 7
H 1.11098972 +1 109.2135781 +1 -124.9327900 +1 2 1 3
H 1.11599851 +1 106.0271506 +1 -113.6229945 +1 2 1 9
H 1.10674436 +1 108.4993629 +1 -122.9488444 +1 3 2 4
H 1.10714099 +1 109.2687104 +1 -114.5430902 +1 3 2 11
H 1.10800233 +1 108.8159179 +1 -122.1104522 +1 4 3 5
H 1.10665505 +1 109.8788507 +1 -114.5431521 +1 4 3 13
H 1.10557194 +1 110.2274500 +1 -123.0175315 +1 5 4 6
H 1.10695605 +1 109.5295817 +1 -115.7655546 +1 5 4 15
H 1.10653930 +1 109.6648366 +1 165.4762437 +1 6 5 4
H 1.10536214 +1 110.0938323 +1 -115.7266217 +1 6 5 17
H 1.11117027 +1 108.9469575 +1 48.2280409 +1 7 1 2
H 1.11527002 +1 106.3542998 +1 113.8417842 +1 7 1 19