PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(iii)br5(2-) (clpysb)
5700 Sb(III)Br5(2-) (CLPYSB)
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ΔHf: -142.7 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=-2 PM7
Sb(III)Br5(2-) (CLPYSB)
H=-142.7 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.73782777 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.73807038 +1 89.7670544 +1 0.0000000 +0 1 2 0
Br 2.61724317 +1 86.4243273 +1 86.0709622 +1 1 2 3
Br 2.73758379 +1 89.7504156 +1 86.0416001 +1 1 2 4
Br 2.73825203 +1 89.7690923 +1 172.5654818 +1 1 5 2