PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb2br4r
5722 Sb2Br4 (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.
PM7
Sb2Br4
<Sb-Sb> <Sb-Br> GR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sb 2.98244700 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.54870800 +1 91.7190351 +1 0.0000000 +0 2 1 0
Br 2.48383981 +1 93.4900193 +1 100.8091062 +1 2 1 3
Br 2.48358924 +1 92.8496951 +1 -50.2992280 +1 1 2 3
Br 2.48655797 +1 93.4286622 +1 101.8445537 +1 1 2 5