PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
magnesium hydrosulfide hydroxide
2225 Magnesium hydrosulfide hydroxide
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ΔHf: -76.2 kcal/mol, REF: P. Gardner S. R. Preston, R. Siertsema, and F. Steele, J. Comp. Chem., 14, 1523 (1993).
GEO-OK PM7
Magnesium hydrosulfide hydroxide
H=-76.2 HR=GPSS1993
Mg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.07766565 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 1 2 0
H 1.34366658 +1 101.4991027 +1 0.0000000 +0 2 1 3
O 1.69566432 +1 179.1663496 +1 0.2451926 +1 1 2 3
H 0.87056453 +1 176.9828404 +1 -179.8890829 +1 5 1 3