PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Te4Cl16
5810 Te4Cl16
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ΔHf: -308.8 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.
SYMMETRY PM7
Te4Cl16
H=-308.8 HR=PW91D
XX 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Te 2.84724823 +1 0.0000000 +0 0.0000000 +0 1 0 0
Te 2.84724823 +0 109.4712210 +0 0.0000000 +0 1 2 0
Te 2.84724823 +0 109.4712210 +0 120.0000000 +0 1 2 3
Te 2.84724823 +0 109.4712210 +0 -120.0000000 +0 1 2 3
Cl 2.23260903 +1 180.0000000 +0 0.0000000 +0 1 2 3
Cl 2.23260903 +0 180.0000000 +0 0.0000000 +0 1 3 2
Cl 2.23260903 +0 180.0000000 +0 0.0000000 +0 1 4 2
Cl 2.23260903 +0 180.0000000 +0 0.0000000 +0 1 5 2
Cl 2.33966775 +1 122.7282823 +1 0.0226987 +1 2 1 3
Cl 2.33966775 +0 122.7282823 +0 120.0312767 +1 2 1 3
Cl 2.33966775 +0 122.7282823 +0 -119.9754318 +1 2 1 3
Cl 2.33966775 +0 122.7282823 +0 -0.0208410 +1 3 1 2
Cl 2.33966775 +0 122.7282823 +0 119.9804644 +1 3 1 2
Cl 2.33966775 +0 122.7282823 +0 -120.0318028 +1 3 1 2
Cl 2.33966775 +0 122.7282823 +0 -0.0187884 +1 4 1 2
Cl 2.33966775 +0 122.7282823 +0 119.9819053 +1 4 1 2
Cl 2.33966775 +0 122.7282823 +0 -120.0177467 +1 4 1 2
Cl 2.33966775 +0 122.7282823 +0 0.0064100 +1 5 1 2
Cl 2.33966775 +0 122.7282823 +0 120.0273857 +1 5 1 2
Cl 2.33966775 +0 122.7282823 +0 -119.9831373 +1 5 1 2