PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c5h5beclr
2355 Cyclo C5H5 beryllium chloride (Geo)
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REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
GNORM=5 NOINTER NOXYZ SYMMETRY PM7
Cyclo C5H5 beryllium chloride
<> <C-H> <Be-ring> <Be-Cl> GR=HLKS1979
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 1.21874788 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.21874788 +0 72.0000000 +0 0.0000000 +0 2 1 0
C 1.21874788 +0 144.0000000 +0 0.0000000 +0 2 1 3
C 1.21874788 +0 72.0000000 +0 180.0000000 +0 2 1 3
C 1.21874788 +0 144.0000000 +0 180.0000000 +0 2 1 3
H 1.09000000 +1 180.0000000 +0 0.0000000 +0 1 2 3
H 1.09000000 +0 180.0000000 +0 0.0000000 +0 3 2 1
H 1.09000000 +0 180.0000000 +0 0.0000000 +0 4 2 1
H 1.09000000 +0 180.0000000 +0 0.0000000 +0 5 2 1
H 1.09000000 +0 180.0000000 +0 0.0000000 +0 6 2 1
Be 1.48500000 +1 90.0000000 +0 90.0000000 +0 2 1 3
Cl 1.83900000 +1 180.0000000 +0 0.0000000 +0 12 2 1