PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
kch3r
2661 Potassium methyl (Geo)
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REF: K. P. Huber, G. Herzberg, "Molecular Spectra and Molecular Structure," IV. "Constants for Diatomic Molecules," Van Nostrand, Reinhold, New York, (1979).
LET DDMIN=0.0 SYMMETRY PM7
Potassium methyl
<K-C> GR=HH1979
K 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.63300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.06472293 +1 107.0666842 +1 0.0000000 +0 2 1 0
H 1.06472293 +1 107.0666842 +1 120.0000000 +1 2 1 3
H 1.06472293 +1 107.0666842 +1 -120.0000000 +1 2 1 3