Accuracy
te(iv)c4 (pobwos)
5732 Te(IV)C4 (POBWOS)
(Previous)
(Back)
(Next)
Geometry predicted using PM7
ΔHf: 21.9 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)C4 (POBWOS)
H=21.9 HR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.17009979 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.16867491 +1 81.2057124 +1 0.0000000 +0 1 2 0
C 2.17009995 +1 134.0475904 +1 68.3889255 +1 1 2 3
H 1.07900244 +1 110.0122610 +1 173.4916102 +1 2 1 3
H 1.07892554 +1 110.2363663 +1 -45.6800918 +1 3 1 2
H 1.07876416 +1 109.9974248 +1 -120.8559869 +1 3 1 6
H 1.08099667 +1 109.3141302 +1 -119.5821551 +1 3 1 7
H 1.07864560 +1 109.9551607 +1 122.5408511 +1 4 1 2
C 2.16883569 +1 81.1018184 +1 68.1775525 +1 1 2 4
H 1.07878068 +1 110.0834535 +1 -120.4907598 +1 2 1 5
H 1.07887829 +1 110.0738891 +1 120.5396035 +1 4 1 9
H 1.07880548 +1 110.1290309 +1 50.4769610 +1 10 1 2
H 1.07888576 +1 110.0322484 +1 120.7418993 +1 10 1 13
H 1.08080598 +1 109.3710714 +1 119.5860085 +1 10 1 14
H 1.08061905 +1 109.4717093 +1 -119.7988351 +1 2 1 11
H 1.08043494 +1 109.5097788 +1 119.6905641 +1 4 1 12