PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tih4r
2881 TiH4 (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.
SYMMETRY PM7
TiH4
<Ti-H> GR=PW91D
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ti 1.72568100 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.72568100 +1 109.4712210 +1 0.0000000 +0 2 1 0
H 1.72568100 +1 109.4712210 +1 -120.0000000 +1 2 1 3
H 1.72568100 +1 109.4712210 +1 120.0000000 +1 2 1 3