PM7 Accuracy

tetrafluoroethylene   1616 Tetrafluoroethylene

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    #  Species Formula
  1606 B3O3F3B3O3F3
  1607 Be(II)F4(2-) (KIPPEE) (Geo)BeF4
  1608 Be(II)F4(2-) (KIPPEE)BeF4
  1609 Fluoroboric acid anion (Geo)BF4
  1610 Fluoroboric acid anionBF4
  1611 B2F4 (Geo)B2F4
  1612 TetrafluorodiboraneB2F4
  1613 Carbon tetrafluorideCF4
  1614 Carbon tetrafluoride (Geo)CF4
  1615 Tetrafluoroethylene (Geo)C2F4
  1616 Tetrafluoroethylene C2F4
  1617 1,2,4,5-TetrafluorobenzeneC6H2F4
  1618 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1619 TetrafluorohydrazineN2F4
  1620 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamineC6H10N2F4
  1621 N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentaneC6H12N2F4
  1622 1,1-Bis(difluoroamine)heptaneC7H14N2F4
  1623 PerfluoromethanolCOF4
  1624 Bis(fluoroxy)perfluoromethaneCO2F4
  1625 PentafluorobenzeneHC6F5
  1626 2,3,4,5,6-PentafluorotolueneC7H3F5


DHf: -157.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Tetrafluoroethylene
 H=-157.9 HR=C&P1970 I=10.5 IR=LLNBS82
  C     0.00318249  1   0.00028047  1  -0.00002857  1
  C     1.34017274  1   0.00012999  1   0.00002764  1
  F     2.09770317  1   1.06867293  1   0.00009452  1
  F    -0.75439969  1   1.06841896  1   0.00036964  1
  F    -0.75362231  1  -1.06871140  1  -0.00021675  1
  F     2.09680566  1  -1.06878737  1  -0.00050642  1