PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3-cd-fr
5365 Methyl cadmium fluoride (Geo)
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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
PM7
Methyl cadmium fluoride
<Cd-F> <Cd-C> GR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.99516900 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.15116800 +1 179.9867838 +1 0.0000000 +0 1 2 0
H 1.08825448 +1 104.4216915 +1 119.9060255 +1 3 1 2
H 1.08826405 +1 104.4325477 +1 119.9897289 +1 3 1 4
H 1.08826379 +1 104.4321546 +1 120.0070768 +1 3 1 5