PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bih2-nh2
8171 BiH2-NH2
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ΔHf: 48.1 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
BiH2-NH2
H=48.1 HR=PW91D
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Bi 2.26174140 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 0.98238887 +1 125.8551030 +1 0.0000000 +0 1 2 0
H 1.22636695 +1 95.1832242 +1 -59.6061580 +1 2 1 3
H 0.98260668 +1 124.4465497 +1 177.9338902 +1 1 2 3
H 1.22672965 +1 95.2361633 +1 128.3834690 +1 2 1 4