PM7 Accuracy

carbon tetrafluoride   1613 Carbon tetrafluoride

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    #  Species Formula
  1603 (CH3CH2)2O-BF3H10BC4OF3
  1604 F3NONOF3
  1605 Trifluoroacetic acidHC2O2F3
  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 tetrafluoride CF4
  1614 Carbon tetrafluoride (Geo)CF4
  1615 Tetrafluoroethylene (Geo)C2F4
  1616 TetrafluoroethyleneC2F4
  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


DHf: -223.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 16.2 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.
  
 SYMMETRY PM7
Carbon tetrafluoride
 I=16.23 IR=LLNBS82 HR=C&P1970 H=-223.3 S=62.52 CP=14.60
  F     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.31851464  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.31851464  1  109.4710000  1    0.0000000  0     2     1     0
  F     1.31851464  1  109.4710000  1 -120.0000000  1     2     1     3
  F     1.31851464  1  109.4710000  1  120.0000000  1     2     1     3
 
   2  1    3    4    5