PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(iii)c2i2(-) (eleced)
6127 Sb(III)C2I2(-) (ELECED)
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ΔHf: -67.7 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=-1 PM7
Sb(III)C2I2(-) (ELECED)
H=-67.7 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 3.00030043 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.18864867 +1 89.3097217 +1 0.0000000 +0 1 2 0
C 2.18836094 +1 89.0004771 +1 96.0483556 +1 1 2 3
H 1.10523229 +1 110.7597362 +1 -93.0258698 +1 3 1 2
H 1.10524804 +1 111.6563657 +1 -119.6833472 +1 3 1 5
I 3.00167504 +1 89.3715085 +1 178.1028577 +1 1 4 2
H 1.10510328 +1 111.8274999 +1 -151.7336239 +1 4 1 2
H 1.10522703 +1 110.7586273 +1 -119.8215862 +1 4 1 8
H 1.10531329 +1 111.6593678 +1 -119.6675025 +1 4 1 9
H 1.10511967 +1 111.8502612 +1 -120.5042457 +1 3 1 6