PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ali3r
6136 Aluminum triiodide (Geo)
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REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
SYMMETRY PM7
Aluminum triiodide
GR=JANAF86 <Al-I>
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Al 2.49900000 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.49900000 +1 120.0000000 +1 0.0000000 +0 2 1 0
I 2.49900000 +1 120.0000000 +1 180.0000000 +1 2 1 3