PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
octafluorotoluene
1643 Octafluorotoluene
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ΔHf: -356.8 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
Octafluorotoluene
H=-356.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39874998 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39841485 +1 119.6645745 +1 0.0000000 +0 2 1 0
C 1.39768675 +1 119.6900112 +1 -0.0356300 +1 3 2 1
C 1.40006996 +1 119.8841025 +1 -0.0400588 +1 4 3 2
C 1.39628886 +1 121.1426857 +1 0.0507651 +1 5 4 3
C 1.50015987 +1 122.3254872 +1 -179.8744390 +1 6 5 4
F 1.31532841 +1 118.9754215 +1 -179.9838900 +1 1 2 3
F 1.31712331 +1 120.1474144 +1 179.9788592 +1 2 1 3
F 1.31406701 +1 120.1716031 +1 179.9797631 +1 3 2 4
F 1.31717028 +1 120.0801257 +1 -179.9962869 +1 4 3 5
F 1.31483139 +1 118.5925507 +1 -179.9532523 +1 5 4 6
F 1.33158157 +1 113.0031620 +1 -120.5985720 +1 7 6 5
F 1.33167610 +1 112.9192642 +1 -119.3088194 +1 7 6 13
F 1.32953592 +1 114.6807813 +1 -120.2888868 +1 7 6 14