Accuracy
sb(iii)cbr4(2-) (bimkir)
5696 Sb(III)CBr4(2-) (BIMKIR)
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Geometry predicted using PM7
ΔHf: -86.6 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.
CHARGE=-2 PM7
Sb(III)CBr4(2-) (BIMKIR)
H=-86.6 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.77262968 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.77172303 +1 90.0348197 +1 0.0000000 +0 1 2 0
C 2.22904492 +1 87.2392728 +1 -87.1285096 +1 1 2 3
Br 2.77250782 +1 89.8347755 +1 -87.1010097 +1 1 2 4
C 1.40236088 +1 121.0328366 +1 -135.4433043 +1 4 1 2
H 1.09805374 +1 122.8331320 +1 0.1750816 +1 6 4 1
C 1.39782723 +1 120.9912288 +1 179.9485360 +1 6 4 7
H 1.08298513 +1 119.5583630 +1 179.9854725 +1 8 6 4
C 1.39163891 +1 120.4349306 +1 -179.9881903 +1 8 6 9
H 1.08170324 +1 120.3667446 +1 179.9996372 +1 10 8 6
C 1.39143091 +1 119.2289620 +1 -179.9833295 +1 10 8 11
H 1.08301757 +1 120.0169453 +1 179.9816252 +1 12 10 8
C 1.40221431 +1 121.0594551 +1 -179.8494851 +1 4 1 6
H 1.09823215 +1 122.8394327 +1 -0.1299721 +1 14 4 1
Br 2.77349143 +1 90.1947758 +1 -174.4112577 +1 1 5 2