PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
iodine pentafluoride
5864 Iodine pentafluoride
(Previous)
(Back)
(Next)
ΔHf: -200.8 kcal/mol, REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
PM7
Iodine pentafluoride
H=-200.84 HR=JANAF86
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 1.87835742 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.88864151 +1 90.0614300 +1 0.0000000 +0 2 1 0
F 1.87864133 +1 120.0117542 +1 90.1447445 +1 2 1 3
F 1.88839582 +1 89.9250663 +1 -179.8689508 +1 2 1 3
F 1.87828783 +1 119.9573217 +1 -89.9890619 +1 2 1 3