Accuracy

perfluoroacetone   1634 Perfluoroacetone

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    #  Species Formula
  1624 PentafluoromethylamineCNF5
  1625 PentafluoroguanidineCN3F5
  1626 PentafluorophenolHC6OF5
  1627 Hexafluoroethane (Geo)C2F6
  1628 HexafluoroethaneC2F6
  1629 PerfluorobutadieneC4F6
  1630 HexafluorobenzeneC6F6
  1631 HexafluorodimethylamineCN2F6
  1632 Dimethyl perfluoroether (Geo)C2OF6
  1633 Dimethyl perfluoroetherC2OF6
  1634 Perfluoroacetone C3OF6
  1635 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6
  1636 Heptafluoromethane triamineCN3F7
  1637 Perfluoropropane (Geo)C3F8
  1638 PerfluoropropaneC3F8
  1639 Perfluorobut-2-eneC4F8
  1640 PerfluorocyclobutaneC4F8
  1641 OctafluorotolueneC7F8
  1642 OctafluoromethanetetramineCN4F8
  1643 Perfluorodimethoxymethane (Geo)C3O2F8
  1644 PerfluorodimethoxymethaneC3O2F8


ΔHf: -342.6 kcal/mol,     REF: A. S. Gordon, Int. J. Chem. Kinet., 4, 541 (1972).
I.P.: 12.1 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
Perfluoroacetone
 H=-342.6 HR=GICK1972 I=12.1 IR=LLNBS82
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.18760568 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54444322 +1  122.0965186 +1    0.0000000 +0     2     1     0
  C     1.54444322 +0  122.0965186 +0  180.0000000 +0     2     1     3
 XX     1.00000000 +0  126.2000000 +0  180.0000000 +0     3     2     1
 XX     1.00000000 +0  126.2000000 +0  180.0000000 +0     4     2     1
  F     1.32599231 +1  111.8366217 +1    0.0000000 +0     3     2     1
  F     1.32738857 +1   53.2866757 +1   92.9437672 +1     3     5     2
  F     1.32738857 +0   53.2866757 +0  -92.9437672 +0     3     5     2
  F     1.32599231 +0  111.8366217 +0    0.0000000 +0     4     2     1
  F     1.32738857 +0   53.2866757 +0   92.9437672 +0     4     6     2
  F     1.32738857 +0   53.2866757 +0  -92.9437672 +0     4     6     2
 
   3  1    4
   3  2    4
   5  2    6
   7  1   10
   7  2   10
   8  1    9   11   12
   8  2    9   11   12
   8  3   11
   8 14    9   12