PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
pentafluoroiodobenzene
5865 Pentafluoroiodobenzene
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ΔHf: -176.6 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
Pentafluoroiodobenzene
H=-176.6 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39571305 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39598567 +1 118.0684019 +1 0.0000000 +0 2 1 0
C 1.40020602 +1 121.3324920 +1 -0.0062103 +1 3 2 1
C 1.39671663 +1 119.9481857 +1 -0.0037987 +1 4 3 2
C 1.39662334 +1 119.3644696 +1 0.0011480 +1 5 4 3
F 1.31856966 +1 120.9785855 +1 -179.9655415 +1 1 2 3
F 1.31697280 +1 120.1005604 +1 179.9998996 +1 6 5 4
F 1.31543349 +1 120.3413838 +1 179.9871787 +1 5 4 6
F 1.31703735 +1 119.9529813 +1 -179.9973279 +1 4 3 5
F 1.31864178 +1 120.9594672 +1 -179.9964543 +1 3 2 4
I 2.10992270 +1 120.9815894 +1 179.9755620 +1 2 1 3