PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c10h10mgr
1734 Dicyclopentadienyl magnesium (Geo)
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REF: P. Gardner S. R. Preston, R. Siertsema, and F. Steele, J. Comp. Chem., 14, 1523 (1993).
SYMMETRY PM7
Dicyclopentadienyl magnesium
<Mg-Cp> GR=GPSS1993 HWT=0.25
Mg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 2.00800000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.21748736 +1 90.0000000 +0 0.0000000 +0 2 1 0
C 1.21748736 +0 90.0000000 +0 72.0000000 +0 2 1 3
C 1.21748736 +0 90.0000000 +0 144.0000000 +0 2 1 3
C 1.21748736 +0 90.0000000 +0 -144.0000000 +0 2 1 3
C 1.21748736 +0 90.0000000 +0 -72.0000000 +0 2 1 3
H 1.06897134 +1 175.5123085 +1 180.0000000 +0 3 2 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 4 2 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 5 2 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 6 2 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 7 2 1
XX 2.00800000 +0 180.0000000 +0 0.0000000 +0 1 2 3
C 1.21748736 +0 90.0000000 +0 36.0000000 +0 13 1 3
C 1.21748736 +0 90.0000000 +0 72.0000000 +0 13 1 14
C 1.21748736 +0 90.0000000 +0 144.0000000 +0 13 1 14
C 1.21748736 +0 90.0000000 +0 -144.0000000 +0 13 1 14
C 1.21748736 +0 90.0000000 +0 -72.0000000 +0 13 1 14
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 14 13 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 15 13 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 16 13 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 17 13 1
H 1.06897134 +0 175.5123085 +0 180.0000000 +0 18 13 1