PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bih2-nh2r
8172 BiH2-NH2 (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
BiH2-NH2
<Bi-N> GR=PW91D
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Bi 2.51027400 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 0.97570077 +1 124.5012345 +1 0.0000000 +0 1 2 0
H 1.22535578 +1 92.5633707 +1 -64.8333864 +1 2 1 3
H 0.97618078 +1 123.0188895 +1 179.7430479 +1 1 2 3
H 1.22540262 +1 92.6736762 +1 128.2761861 +1 2 1 4