Accuracy
inf2(me2s)(plus)r
5447 InF2(Me2S)(+) (Geo)
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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.
CHARGE=1 PM7
InF2(Me2S)(+)
<In-F> <><> <In-S> GR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.96077600 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.89210320 +1 138.9314057 +1 0.0000000 +0 1 2 0
S 2.51831000 +1 110.8825185 +1 -176.6867381 +1 1 2 3
C 1.78448136 +1 106.3793659 +1 34.3282619 +1 4 1 2
H 1.10912821 +1 111.3410703 +1 -179.2980623 +1 5 4 1
H 1.11154544 +1 112.0670881 +1 116.6465317 +1 5 4 6
H 1.10333907 +1 117.2322578 +1 122.2570229 +1 5 4 7
C 1.78462732 +1 106.0411132 +1 110.2643410 +1 4 1 5
H 1.10904807 +1 111.3308671 +1 178.4792854 +1 9 4 1
H 1.11170805 +1 112.0888069 +1 -116.6331159 +1 9 4 10
H 1.10337856 +1 117.2733428 +1 -122.1710327 +1 9 4 11