PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethyltin dibromide
5596 Dimethyltin dibromide
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ΔHf: -52.6 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: 3.6 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
Dimethyltin dibromide
H=-52.6 HR=PW91D D=3.6 DR=PW91D
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 2.40564046 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.40560336 +1 106.2848048 +1 0.0000000 +0 2 1 0
C 2.11617123 +1 109.0911711 +1 -117.5203722 +1 2 1 3
C 2.11612877 +1 109.1602756 +1 -124.7064676 +1 2 1 4
H 1.09259901 +1 111.8245648 +1 -53.7462619 +1 4 2 1
H 1.09290096 +1 112.2089166 +1 119.9725975 +1 4 2 6
H 1.09230474 +1 111.8539674 +1 120.0882269 +1 4 2 7
H 1.09256696 +1 111.8110233 +1 55.4654955 +1 5 2 1
H 1.09292288 +1 112.1963860 +1 -119.9706105 +1 5 2 9
H 1.09232300 +1 111.8597575 +1 -120.0720264 +1 5 2 10