PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ash2-nh2r
3983 AsH2-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
AsH2-NH2
<As-N> GR=PW91D
As 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.90397500 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.52200255 +1 99.8952169 +1 0.0000000 +0 1 2 0
H 1.52225082 +1 99.7763624 +1 95.0794981 +1 1 2 3
H 0.98754933 +1 125.5642614 +1 -48.1697445 +1 2 1 3
H 0.99195077 +1 120.0006647 +1 -179.8409710 +1 2 1 5