PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ash2-nh2
3982 AsH2-NH2
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ΔHf: 30.2 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
AsH2-NH2
H=30.2 HR=PW91D
As 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.83263987 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.52390557 +1 101.3340525 +1 0.0000000 +0 1 2 0
H 1.52404128 +1 101.2766244 +1 95.2006358 +1 1 2 3
H 0.99292496 +1 126.6227222 +1 -48.2820571 +1 2 1 3
H 0.99746990 +1 120.7597063 +1 -179.8794868 +1 2 1 5