PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
te(iv)c2f2 (vejwuc)
5759 Te(IV)C2F2 (VEJWUC)
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ΔHf: -410.8 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.
PM7
Te(IV)C2F2 (VEJWUC)
H=-410.8 HR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.86382795 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.86357126 +1 145.7793000 +1 0.0000000 +0 1 2 0
C 2.20292654 +1 80.0995551 +1 55.0940445 +1 1 2 3
F 1.31964012 +1 109.2681686 +1 160.5995792 +1 4 1 2
C 2.20359308 +1 79.0333326 +1 -106.4534777 +1 1 2 4
F 1.31891856 +1 109.9463274 +1 -163.1805214 +1 6 1 2
F 1.31500275 +1 111.5719044 +1 -121.2287442 +1 6 1 7
F 1.31957006 +1 109.4723109 +1 -120.8246739 +1 6 1 8
F 1.31905592 +1 109.7671243 +1 -117.6882657 +1 4 1 5
F 1.31482633 +1 111.8722701 +1 -121.2774243 +1 4 1 10