Accuracy

te(vi)c2f4 (bijvum)   5745 Te(VI)C2F4 (BIJVUM)

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    #  Species Formula
  5735 Tellurium oxideOTe
  5736 Tellurium dioxide (Geo)O2Te
  5737 Telluric acid (Te(OH)6) (Geo)H6O6Te
  5738 Te(VI)O6 (BINFAF01) (Geo)H6O6Te
  5739 Te(VI)O6 (BINFAF01)H6O6Te
  5740 Telluric acid (Te(OH)6)H6O6Te
  5741 Tellurium fluorideFTe
  5742 Tellurium difluoride (Geo)F2Te
  5743 Tellurium difluorideF2Te
  5744 Te(VI)C2F4 (BIJVUM) (Geo)C12H10F4Te
  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


ΔHf: -163.4 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.
  
 PM7
Te(VI)C2F4 (BIJVUM)
 H=-163.4 HR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.83818230 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.83807152 +1   88.5733776 +1    0.0000000 +0     1     2     0
  C     2.08064099 +1   90.0229774 +1  -90.0254262 +1     1     2     3
  C     1.39232043 +1  118.9477967 +1   44.2760180 +1     4     1     2
  H     1.09564523 +1  122.7455242 +1   -0.0397551 +1     5     4     1
  C     1.39319093 +1  118.5564755 +1 -179.9716626 +1     5     4     6
  H     1.09013565 +1  119.6928686 +1 -179.9996551 +1     7     5     4
  C     1.39443911 +1  120.2634259 +1 -179.9980887 +1     7     5     8
  H     1.09153352 +1  119.9089828 +1 -179.9990463 +1     9     7     5
  C     1.39476005 +1  120.2478073 +1  179.9982050 +1     9     7    10
  H     1.09001601 +1  120.0008152 +1  179.9988673 +1    11     9     7
  C     1.39310924 +1  120.2497405 +1  179.9905517 +1    11     9    12
  H     1.09561466 +1  118.6870509 +1 -179.9886591 +1    13    11     9
  F     1.83825760 +1   89.9742122 +1 -179.7922693 +1     1     4     2
  F     1.83838930 +1   91.3895262 +1 -179.9983802 +1     1     2     3
  C     2.08062571 +1   90.0303434 +1  -89.9487802 +1     1     2    16
  C     1.39228852 +1  118.9313561 +1  135.6928095 +1    17     1     2
  H     1.09562761 +1  122.7567440 +1    0.0242314 +1    18    17     1
  C     1.39334925 +1  118.5575920 +1  179.9800059 +1    18    17    19
  H     1.09007557 +1  119.6873685 +1  179.9940965 +1    20    18    17
  C     1.39458418 +1  120.2695067 +1  179.9932835 +1    20    18    21
  H     1.09152814 +1  119.9169702 +1 -179.9989383 +1    22    20    18
  C     1.39492614 +1  120.2321972 +1 -179.9987619 +1    22    20    23
  H     1.09005235 +1  119.9935827 +1 -179.9816359 +1    24    22    20
  C     1.39309668 +1  120.2481774 +1 -179.9834169 +1    24    22    25
  H     1.09572369 +1  118.6956148 +1 -179.9979037 +1    26    24    22