PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sbbr6(-)r
5706 SbBr6(-) (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
SbBr6(-)
<Sb-Br> GR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.63818200 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.58760279 +1 89.6416314 +1 0.0000000 +0 1 2 0
Br 2.58778058 +1 89.5986609 +1 90.0338499 +1 1 2 3
Br 2.58767998 +1 89.6008474 +1 -179.9318611 +1 1 2 4
Br 2.58786012 +1 89.6516339 +1 -89.9730129 +1 1 2 5
Br 2.58887080 +1 90.2796266 +1 -179.9906673 +1 1 6 2