PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
seh-nh2r
4057 SeH-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
SeH-NH2
<Se-N> GR=PW91D
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Se 1.91265700 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 0.99696136 +1 110.4032169 +1 0.0000000 +0 1 2 0
H 0.99698141 +1 110.4059154 +1 121.1335399 +1 1 2 3
H 1.47166332 +1 92.4131366 +1 120.2150464 +1 2 1 3