PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Cyanocyclohexane
527 Cyanocyclohexane
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ΔHf: -0.9 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
Cyanocyclohexane
H=-0.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54203971 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53254423 +1 109.9364367 +1 0.0000000 +0 2 1 0
C 1.53401986 +1 110.6595883 +1 -57.5885216 +1 3 2 1
C 1.53366975 +1 110.7556931 +1 57.2916314 +1 4 3 2
C 1.53240309 +1 110.7197692 +1 -57.2069538 +1 5 4 3
C 1.45067586 +1 109.7168207 +1 179.1184219 +1 1 2 3
N 1.15636749 +1 143.5939248 +1 179.8417953 +1 7 2 1
H 1.12527194 +1 108.9316506 +1 119.6803444 +1 1 2 7
H 1.10694848 +1 110.1505519 +1 -121.4540570 +1 2 1 3
H 1.10616272 +1 110.2113280 +1 -116.6930962 +1 2 1 10
H 1.10622985 +1 109.9075534 +1 -121.7561943 +1 3 2 4
H 1.10636097 +1 110.2090783 +1 -116.3135657 +1 3 2 12
H 1.10637456 +1 109.9831945 +1 -121.8202373 +1 4 3 5
H 1.10562276 +1 109.9937285 +1 -116.2261411 +1 4 3 14
H 1.10641972 +1 110.0069669 +1 -121.6688733 +1 5 4 6
H 1.10638196 +1 110.0725331 +1 -116.2308151 +1 5 4 16
H 1.10686328 +1 110.0889998 +1 -64.0386620 +1 6 5 4
H 1.10604936 +1 110.3506221 +1 -116.8293057 +1 6 5 18