PM7 Accuracy

cf3cnr   1597 Trifluoroacetonitrile (Geo)

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    #  Species Formula
  1587 TrifluoromethaneHCF3
  1588 TrifluoroethyleneHC2F3
  1589 CF3CH2, cationC2H2F3
  1590 CH2F.CF2, cationC2H2F3
  1591 CF3CH2.C2H2F3
  1592 1,1,1-TrifluoroethaneC2H3F3
  1593 (Trifluoromethyl)-benzeneC7H5F3
  1594 TrifluoromethylbenzeneC7H5F3
  1595 Nitrogen trifluoride (Geo)NF3
  1596 Nitrogen trifluorideNF3
  1597 Trifluoroacetonitrile (Geo) C2NF3
  1598 TrifluoroacetonitrileC2NF3
  1599 TrifluoromethylisocyanideC2NF3
  1600 Trimethyamine-Boron trifluorideH9BC3NF3
  1601 BF3OH, anion (Geo)HBOF3
  1602 (CH3)2O-BF3H6BC2OF3
  1603 (CH3CH2)2O-BF3H10BC4OF3
  1604 F3NONOF3
  1605 Trifluoroacetic acidHC2O2F3
  1606 B3O3F3B3O3F3
  1607 Be(II)F4(2-) (KIPPEE) (Geo)BeF4


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).
  
 SYMMETRY PM7
Trifluoroacetonitrile
 GWT=0.5 GR=JANAF86 <C-C> <C-F> <C-C-F> <C-N>
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.46100000  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.33500000  1  111.3800000  1    0.0000000  0     2     1     0
  F     1.33106265  0  113.0883225  0  120.0000000  0     2     1     3
  F     1.33106265  0  113.0883225  0 -120.0000000  0     2     1     3
  N     1.15300000  1  180.0000000  0    0.0000000  0     1     2     3
 
   2  1    3    4
   3  2    4