PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
mghcchr
1727 MgH(CCH) (Geo)
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REF: P. Gardner S. R. Preston, R. Siertsema, and F. Steele, J. Comp. Chem., 14, 1523 (1993).
PM7
MgH(CCH)
<Mg-H> <Mg-C> GR=GPSS1993
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Mg 1.70000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
C 2.04000000 +1 90.0000000 +0 180.0000000 +0 2 3 1
C 3.24816460 +1 90.0000000 +0 180.0000000 +0 2 3 1
H 4.27306280 +1 90.0000000 +0 180.0000000 +0 2 3 1