PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
geser
4087 Germanium selenide (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).
OPEN(2,2) SHIFT=50 TRIPLET GEO-OK PM7
Germanium selenide
<Ge-Se> GR=HLKS1979
Ge 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Se 2.13500000 +1 0.0000000 +0 0.0000000 +0 1 0 0