PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
te(sh)2
5771 Te(SH)2
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ΔHf: 10.3 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.
SYMMETRY PM7
Te(SH)2
H=10.3 HR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.41717280 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 2.41717280 +0 95.4538827 +1 0.0000000 +0 1 2 0
H 1.34207069 +1 98.4705659 +1 -179.9999719 +1 2 1 3
H 1.34209230 +1 98.4867881 +1 -179.9999073 +1 3 1 2