Accuracy
sb(v)c3f2 (trsbdf)
5636 Sb(V)C3F2 (TRSBDF)
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Geometry predicted using PM7
ΔHf: -134.4 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.
PM7
Sb(V)C3F2 (TRSBDF)
H=-134.4 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.96971431 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.08706943 +1 89.8081886 +1 0.0000000 +0 1 2 0
C 2.08688035 +1 90.1753076 +1 119.5366584 +1 1 2 3
C 2.08733756 +1 90.0916564 +1 119.9960119 +1 1 2 4
H 1.11461752 +1 113.1391495 +1 37.0645767 +1 3 1 2
H 1.11292870 +1 113.2500061 +1 -119.4155816 +1 3 1 6
H 1.11473051 +1 113.3743243 +1 -119.9482445 +1 3 1 7
H 1.11474097 +1 113.4061628 +1 -23.3032482 +1 4 1 2
H 1.11448630 +1 113.1927182 +1 -120.6653719 +1 4 1 9
H 1.11309279 +1 113.1727217 +1 -119.4908199 +1 4 1 10
H 1.11484702 +1 113.4554923 +1 -16.9546355 +1 5 1 2
H 1.11306237 +1 113.1905568 +1 120.0769778 +1 5 1 12
H 1.11425416 +1 113.1130146 +1 119.2560318 +1 5 1 13
F 1.96918505 +1 89.5864764 +1 -179.9001000 +1 1 5 2