PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

te(vi)c2f4 (bijvum)   5747 Te(VI)C2F4 (BIJVUM)

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    #  Species Formula
  5737 Tellurium oxideOTe
  5738 Tellurium dioxide (Geo)O2Te
  5739 Telluric acid (Te(OH)6) (Geo)H6O6Te
  5740 Te(VI)O6 (BINFAF01) (Geo)H6O6Te
  5741 Te(VI)O6 (BINFAF01)H6O6Te
  5742 Telluric acid (Te(OH)6)H6O6Te
  5743 Tellurium fluorideFTe
  5744 Tellurium difluoride (Geo)F2Te
  5745 Tellurium difluorideF2Te
  5746 Te(VI)C2F4 (BIJVUM) (Geo)C12H10F4Te
  5747 Te(VI)C2F4 (BIJVUM) C12H10F4Te
  5748 Te(IV)F5(-) (JIJJOB) (Geo)F5Te
  5749 Te(IV)F5(-) (JIJJOB)F5Te
  5750 Te(VI)F5O(-) (GEKZIF) (Geo)OF5Te
  5751 Te(VI)F5O(-) (GEKZIF)OF5Te
  5752 Pentafluoro(isocyanato)tellurium (Geo)CNOF5Te
  5753 Tellurium hexafluoride (Geo)F6Te
  5754 Te(VI)F6O(-) (KUPBAY) (Geo)CH3OF6Te
  5755 Te(VI)F6O(-) (KUPBAY) WARNINGCH3OF6Te
  5756 Te(VI)F7(-) (ROLSOA) (Geo)F7Te
  5757 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