Accuracy
(sb(v)me3.2(h2o))(2plus)
5627 [Sb(V)Me3.2(H2O)](2+)
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Geometry predicted using PM7
ΔHf: 306.2 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.
CHARGE=2 PM7
[Sb(V)Me3.2(H2O)](2+)
H=306.2 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.04406666 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.04308601 +1 120.2959250 +1 0.0000000 +0 1 2 0
C 2.04428215 +1 119.5856369 +1 179.2188441 +1 1 2 3
H 1.13080381 +1 115.8541063 +1 123.4158048 +1 2 1 3
H 1.13134863 +1 115.7576206 +1 118.3394762 +1 2 1 5
H 1.12991824 +1 116.6022309 +1 120.5711551 +1 2 1 6
H 1.13089442 +1 115.6956904 +1 97.5473111 +1 3 1 2
H 1.13049577 +1 116.1547499 +1 119.5472473 +1 3 1 8
H 1.13065317 +1 116.2022480 +1 120.6005655 +1 3 1 9
H 1.13019839 +1 116.4829897 +1 -176.8286702 +1 4 1 2
H 1.13086644 +1 115.9268360 +1 120.8299409 +1 4 1 11
H 1.13083032 +1 115.8610377 +1 118.3719961 +1 4 1 12
O 2.34099252 +1 89.8810099 +1 -89.7040163 +1 1 2 4
O 2.32940144 +1 89.9981471 +1 179.8083984 +1 1 2 14
H 0.99806660 +1 128.7687980 +1 -38.5608521 +1 14 1 2
H 0.99786720 +1 128.8464994 +1 -178.5089615 +1 14 1 16
H 0.99877415 +1 128.7210932 +1 30.9742412 +1 15 1 2
H 0.99851985 +1 128.8758632 +1 176.0749235 +1 15 1 18