Accuracy

te(vi)f7(-) (rolsoa)   5755 Te(VI)F7(-) (ROLSOA)

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  5745 Te(VI)C2F4 (BIJVUM)C12H10F4Te
  5746 Te(IV)F5(-) (JIJJOB) (Geo)F5Te
  5747 Te(IV)F5(-) (JIJJOB)F5Te
  5748 Te(VI)F5O(-) (GEKZIF) (Geo)OF5Te
  5749 Te(VI)F5O(-) (GEKZIF)OF5Te
  5750 Pentafluoro(isocyanato)tellurium (Geo)CNOF5Te
  5751 Tellurium hexafluoride (Geo)F6Te
  5752 Te(VI)F6O(-) (KUPBAY) (Geo)CH3OF6Te
  5753 Te(VI)F6O(-) (KUPBAY) WARNINGCH3OF6Te
  5754 Te(VI)F7(-) (ROLSOA) (Geo)F7Te
  5755 Te(VI)F7(-) (ROLSOA) F7Te
  5756 Te(IV)C2F2 (VEJWUC) (Geo)C2F8Te
  5757 Te(IV)C2F2 (VEJWUC)C2F8Te
  5758 Al-Te, complex (Geo)AlTe
  5759 Aluminum tellurideAlTe
  5760 TeH-AlH2, complex (Geo)H3AlTe
  5761 TeF2.PF3 (Geo)F5PTe
  5762 TeF3.PF3(+) (Geo)F6PTe
  5763 Me-Te-S-Me (Geo)C2H6STe
  5764 Me-Te-S-MeC2H6STe
  5765 -Te-S-(CH2)3-C3H6STe


ΔHf: -440.4 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 PULAY PM7
Te(VI)F7(-) (ROLSOA)
 H=-440.4 HR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.83683030 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.83801788 +1  159.8162680 +1    0.0000000 +0     1     2     0
  F     1.83874295 +1   82.3418161 +1  -24.0940855 +1     1     2     3
  F     1.83941501 +1   79.1608449 +1  -79.9455105 +1     1     2     4
  F     1.83721540 +1   89.4660979 +1  161.2007041 +1     1     2     5
  F     1.84720591 +1  124.6935393 +1  136.1830023 +1     1     2     6
  F     1.84273597 +1   77.3665245 +1  -59.5080903 +1     1     2     7