PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
mgh(ch=ch2)
1728 MgH(CH=CH2)
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ΔHf: 57.6 kcal/mol, REF: P. Gardner S. R. Preston, R. Siertsema, and F. Steele, J. Comp. Chem., 14, 1523 (1993).
PM7
MgH(CH=CH2)
H=57.6 HR=GPSS1993
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Mg 1.68084411 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
C 2.05561652 +1 90.0896708 +1 180.0000000 +0 2 3 1
H 1.07163028 +1 114.4368538 +1 180.0000000 +0 4 2 3
C 1.32319446 +1 123.7284936 +1 180.0000000 +0 4 5 2
H 1.07758136 +1 124.7337204 +1 180.0000000 +0 6 4 5
H 1.08132593 +1 123.5398566 +1 0.0000000 +0 6 4 5