PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tl(iii)i4(-) (bokhue)
8067 Tl(III)I4(-) (BOKHUE)
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ΔHf: -80.3 kcal/mol, 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
Tl(III)I4(-) (BOKHUE)
H=-80.3 HR=PW91D
Tl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.89028368 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.89025781 +1 109.4963875 +1 0.0000000 +0 1 2 0
I 2.89025675 +1 109.4482019 +1 119.9686514 +1 1 2 3
I 2.89025663 +1 109.4855932 +1 119.9713764 +1 1 2 4