PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
mgs2h4r
2278 Magnesium dithiol (Geo)
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REF: P. Gardner S. R. Preston, R. Siertsema, and F. Steele, J. Comp. Chem., 14, 1523 (1993).
PULAY PM7
Magnesium dithiol
<Mg-S> GR=GPSS1993
Mg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.29000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.32077080 +1 116.2073895 +1 0.0000000 +0 2 1 0
H 1.32069776 +1 116.0963645 +1 -177.3719612 +1 2 1 3
S 2.05858487 +1 177.3165542 +1 44.1395435 +1 1 2 3
H 1.31777081 +1 111.0324652 +1 159.1075037 +1 5 1 3
H 1.31776214 +1 111.1228037 +1 179.4892963 +1 5 1 6