PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
teh-alh2r
5762 TeH-AlH2, complex (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
TeH-AlH2, complex
<Al-Te> GR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Al 2.55354900 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.68982575 +1 108.1426699 +1 0.0000000 +0 1 2 0
H 1.79784922 +1 165.3319351 +1 0.0141321 +1 2 1 3
H 1.79485484 +1 167.6125982 +1 179.9995326 +1 2 1 4