PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethyl antimony fluoride
5635 Dimethyl antimony fluoride
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ΔHf: -57.7 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: 2.9 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
Dimethyl antimony fluoride
H=-57.7 HR=PW91D D=2.9 DR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.97382563 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.14704565 +1 93.8591064 +1 0.0000000 +0 1 2 0
C 2.14702620 +1 93.8478033 +1 96.5010517 +1 1 2 3
H 1.11177065 +1 111.8672213 +1 39.9289210 +1 3 1 2
H 1.10679246 +1 113.0965017 +1 120.5476738 +1 3 1 5
H 1.10953102 +1 112.1333297 +1 120.7768288 +1 3 1 6
H 1.10682107 +1 113.0732517 +1 -161.2864497 +1 4 1 2
H 1.11168216 +1 111.9449626 +1 120.5351647 +1 4 1 8
H 1.10952300 +1 112.0831154 +1 118.7198530 +1 4 1 9