Accuracy
te(iv)c3(plus) (huhbiv)
5730 Te(IV)C3(+) (HUHBIV)
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Geometry predicted using PM7
ΔHf: 142.1 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
Te(IV)C3(+) (HUHBIV)
H=142.1 HR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.11431219 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.11427051 +1 99.1332175 +1 0.0000000 +0 1 2 0
H 1.09669189 +1 111.1103917 +1 161.2597022 +1 2 1 3
H 1.09447937 +1 111.5739881 +1 -120.3535180 +1 2 1 4
H 1.09687228 +1 111.1506348 +1 -172.0871118 +1 3 1 2
H 1.09691417 +1 111.1227886 +1 -119.1407991 +1 3 1 6
H 1.09446120 +1 111.5758055 +1 -120.4341834 +1 3 1 7
C 2.11428732 +1 99.1018964 +1 -100.8511779 +1 1 2 3
H 1.09678250 +1 111.1231093 +1 166.1098995 +1 9 1 2
H 1.09451376 +1 111.5653825 +1 -120.3772599 +1 9 1 10
H 1.09691372 +1 111.1664249 +1 -120.4463968 +1 9 1 11
H 1.09708076 +1 111.1705499 +1 -120.4459177 +1 2 1 5