PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hexylcyclohexane
326 Hexylcyclohexane
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ΔHf: -60.8 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
Hexylcyclohexane
H=-60.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53423353 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53461787 +1 110.6874895 +1 0.0000000 +0 2 1 0
C 1.53444511 +1 110.4996963 +1 56.7054644 +1 3 2 1
C 1.53403532 +1 110.5460381 +1 -57.0021965 +1 4 3 2
C 1.54047498 +1 110.5160608 +1 -57.6790462 +1 1 2 3
C 1.53877556 +1 109.7992912 +1 -179.6205902 +1 6 1 2
C 1.53367656 +1 111.6128944 +1 164.5418714 +1 7 6 1
C 1.53393804 +1 110.6314126 +1 179.1999787 +1 8 7 6
C 1.53363061 +1 110.6843784 +1 179.5144202 +1 9 8 7
C 1.53420282 +1 110.7996705 +1 179.7789152 +1 10 9 8
C 1.52870473 +1 110.9368442 +1 -179.9916000 +1 11 10 9
H 1.10512625 +1 109.9944160 +1 63.9372718 +1 1 2 3
H 1.10471213 +1 109.9323174 +1 -179.4571325 +1 1 2 3
H 1.10588039 +1 109.8897999 +1 121.5732145 +1 2 1 3
H 1.10481619 +1 110.0595507 +1 -121.9397215 +1 2 1 3
H 1.10563512 +1 109.9010369 +1 -64.7737555 +1 3 2 1
H 1.10466807 +1 110.1194086 +1 178.6138457 +1 3 2 1
H 1.10494863 +1 110.0950961 +1 -178.8102825 +1 4 3 2
H 1.10565896 +1 109.9718431 +1 64.6371167 +1 4 3 2
H 1.10451077 +1 110.0832760 +1 -179.7653882 +1 5 4 3
H 1.10524929 +1 109.9797603 +1 -63.2257712 +1 5 4 3
H 1.11547649 +1 108.6011808 +1 -60.4057347 +1 6 1 2
H 1.10668328 +1 109.7326817 +1 43.0498459 +1 7 6 1
H 1.10543871 +1 110.0145038 +1 -72.8309390 +1 7 6 1
H 1.10602440 +1 110.2326323 +1 57.3931176 +1 8 7 6
H 1.10608149 +1 109.9857363 +1 -58.9850229 +1 8 7 6
H 1.10585918 +1 110.0442999 +1 57.6578366 +1 9 8 7
H 1.10599881 +1 109.9905289 +1 -58.6754191 +1 9 8 7
H 1.10595873 +1 110.0807464 +1 57.9256352 +1 10 9 8
H 1.10591776 +1 110.0725002 +1 -58.3811992 +1 10 9 8
H 1.10637562 +1 109.9903576 +1 58.1244621 +1 11 10 9
H 1.10639103 +1 109.9952542 +1 -58.0929365 +1 11 10 9
H 1.09541405 +1 111.2760994 +1 179.9030277 +1 12 11 10
H 1.09568622 +1 111.4317618 +1 59.9356407 +1 12 11 10
H 1.09568247 +1 111.4201900 +1 -60.1396156 +1 12 11 10