PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
seh-nh2
4056 SeH-NH2
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ΔHf: 20.4 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
SeH-NH2
H=20.4 HR=PW91D
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Se 1.88225120 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 0.99621949 +1 110.6729315 +1 0.0000000 +0 1 2 0
H 0.99624618 +1 110.6815693 +1 121.5081594 +1 1 2 3
H 1.47175150 +1 92.3598019 +1 120.2036853 +1 2 1 3