PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hg(ii)br2 (acnhgb)
7949 Hg(II)Br2 (ACNHGB)
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ΔHf: -23.6 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.
PM7
Hg(II)Br2 (ACNHGB)
H=-23.6 HR=PW91D
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.36928033 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.36929098 +1 178.2240577 +1 0.0000000 +0 1 2 0