PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethyltin difluoride
5537 Dimethyltin difluoride
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ΔHf: -139.5 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: 4.5 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 difluoride
H=-139.5 HR=PW91D D=4.5 DR=PW91D
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 1.96007236 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.96020850 +1 108.7691746 +1 0.0000000 +0 2 1 0
C 2.12403833 +1 109.1529921 +1 -119.2945291 +1 2 1 3
C 2.12418245 +1 109.3072567 +1 -121.7879828 +1 2 1 4
H 1.09295774 +1 111.3774413 +1 -58.7011656 +1 4 2 1
H 1.09461902 +1 111.1807119 +1 119.7893082 +1 4 2 6
H 1.09310734 +1 111.2634221 +1 119.7194732 +1 4 2 7
H 1.09304506 +1 111.3635547 +1 60.5193883 +1 5 2 1
H 1.09450461 +1 111.2547823 +1 -119.8116641 +1 5 2 9
H 1.09308075 +1 111.1813232 +1 -119.7240683 +1 5 2 10