PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tef3.pf3(plus)r
5764 TeF3.PF3(+) (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.
CHARGE=1 PM7
TeF3.PF3(+)
<Te-F> <><> <><><> <Te-P> GR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.92700700 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.82183917 +1 96.2196253 +1 0.0000000 +0 1 2 0
F 1.82206424 +1 96.8360548 +1 -92.5255071 +1 1 2 3
P 2.99243900 +1 27.9374417 +1 43.7803272 +1 1 2 4
F 1.53572103 +1 124.6763105 +1 78.6902470 +1 5 1 2
F 1.54363095 +1 85.1811322 +1 102.5883199 +1 5 1 6
F 1.53506056 +1 127.7232294 +1 103.1968056 +1 5 1 7