Accuracy

trifluoroacetonitrile   1595 Trifluoroacetonitrile

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    #  Species Formula
  1585 TrifluoroethyleneHC2F3
  1586 CF3CH2, cationC2H2F3
  1587 CH2F.CF2, cationC2H2F3
  1588 CF3CH2.C2H2F3
  1589 1,1,1-TrifluoroethaneC2H3F3
  1590 (Trifluoromethyl)-benzeneC7H5F3
  1591 TrifluoromethylbenzeneC7H5F3
  1592 Nitrogen trifluoride (Geo)NF3
  1593 Nitrogen trifluorideNF3
  1594 Trifluoroacetonitrile (Geo)C2NF3
  1595 Trifluoroacetonitrile C2NF3
  1596 TrifluoromethylisocyanideC2NF3
  1597 Trimethyamine-Boron trifluorideH9BC3NF3
  1598 BF3OH, anion (Geo)HBOF3
  1599 (CH3)2O-BF3H6BC2OF3
  1600 (CH3CH2)2O-BF3H10BC4OF3
  1601 F3NONOF3
  1602 Trifluoroacetic acidHC2O2F3
  1603 B3O3F3B3O3F3
  1604 Be(II)F4(2-) (KIPPEE) (Geo)BeF4
  1605 Be(II)F4(2-) (KIPPEE)BeF4


ΔHf: -118.4 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.3 Debye,     REF: P. B. Foreman, K. R. Chien, J. R. Williams, S. G. Kukolich, J. Mol. Spectrosc. 52, 251 (1974).
  
 SYMMETRY PM7
Trifluoroacetonitrile
 D=1.26 H=-118.4 HR=JANAF86 DR=FCWK1974 S=71.24 CP=18.62
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.46923532 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.33106619 +1  113.0819303 +1    0.0000000 +0     2     1     0
  F     1.33106619 +0  113.0819303 +0  120.0000000 +0     2     1     3
  F     1.33106619 +0  113.0819303 +0 -120.0000000 +0     2     1     3
  N     1.15230674 +1  180.0000000 +0    0.0000000 +0     1     2     3
 
   3  1    4    5
   3  2    4    5