PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,1,1-trifluoro-2-iodoethane
5862 1,1,1-Trifluoro-2-iodoethane
(Previous)
(Back)
(Next)
ΔHf: -155.1 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
1,1,1-Trifluoro-2-iodoethane
H=-155.05 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.51976722 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.33175657 +1 114.8211662 +1 0.0000000 +0 1 2 0
H 1.10854585 +1 111.1773677 +1 -57.7724755 +1 2 1 3
H 1.10834925 +1 111.2360553 +1 -118.9821136 +1 2 1 4
F 1.33169048 +1 114.9917773 +1 -121.9566484 +1 1 2 3
F 1.33525187 +1 112.4567402 +1 -119.1110653 +1 1 2 6
I 2.16236057 +1 113.3836018 +1 -120.6815094 +1 2 1 5