PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methyl cadmium fluoride
5366 Methyl cadmium fluoride
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ΔHf: -43.6 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
Dipole: 3.2 Debye, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
PM7
Methyl cadmium fluoride
H=-43.6 HR=PW91D D=3.2 DR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.93535504 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.06840138 +1 179.9978250 +1 0.0000000 +0 1 2 0
H 1.09455150 +1 105.3333671 +1 119.8297550 +1 3 1 2
H 1.09456288 +1 105.3454117 +1 119.9837720 +1 3 1 4
H 1.09454595 +1 105.3525561 +1 120.0086941 +1 3 1 5