PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
te(sh)2r
5772 Te(SH)2 (Geo)
(Previous)
(Back)
(Next)
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
Te(SH)2
<Te-S> GR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.48956700 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 2.42247180 +1 94.5093963 +1 0.0000000 +0 1 2 0
H 1.34038013 +1 97.7540565 +1 -179.9999617 +1 2 1 3
H 1.34238225 +1 98.3990021 +1 -179.9999064 +1 3 1 2