PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-cyclohexenecarbonitrile
521 2-Cyclohexenecarbonitrile
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ΔHf: 26.2 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
2-Cyclohexenecarbonitrile
H=26.22 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53118280 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53483570 +1 110.1507483 +1 0.0000000 +0 2 1 0
C 1.49334465 +1 112.0967184 +1 -46.5280753 +1 3 2 1
C 1.33530213 +1 123.7054580 +1 16.6797427 +1 4 3 2
C 1.50477022 +1 123.2633075 +1 -0.2163396 +1 5 4 3
C 1.45359916 +1 108.8344439 +1 -107.4145847 +1 6 5 4
N 1.15650410 +1 143.7220071 +1 -179.6467026 +1 7 5 6
H 1.10715867 +1 109.9462313 +1 -59.2574096 +1 1 2 3
H 1.10578890 +1 110.5639895 +1 -116.9501787 +1 1 2 9
H 1.10811184 +1 109.9775429 +1 -121.2669492 +1 2 1 3
H 1.10518082 +1 110.4614342 +1 -116.5711371 +1 2 1 11
H 1.10964269 +1 109.7164863 +1 -122.9676228 +1 3 2 4
H 1.11173989 +1 109.9556280 +1 -115.4792803 +1 3 2 13
H 1.09046266 +1 114.9248371 +1 179.4164896 +1 4 3 5
H 1.08781118 +1 122.1040518 +1 -179.6004915 +1 5 4 6
H 1.12879362 +1 108.7586397 +1 -118.6189477 +1 6 5 7