PM7 Accuracy

cf3ch2.   1591 CF3CH2.

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    #  Species Formula
  1581 Boron trifluorideBF3
  1582 Trifluoromethyl, cationCF3
  1583 TrifluoromethylCF3
  1584 Trifluoromethyl, anionCF3
  1585 Trifluoromethane, cationHCF3
  1586 Trifluoromethane (Geo)HCF3
  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


DHf: -123.6 kcal/mol,     REF: E. C. Wu, A. S. Rodgers, J. Phys. Chem.; 78, 2315 (1974).
  
 PM7
CF3CH2.
 H=-123.6 HR=WR1974
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.47785577  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.33486255  1  114.7181677  1    0.0000000  0     2     1     0
  F     1.33476932  1  114.7666633  1  120.5785573  1     2     1     3
  F     1.33647433  1  113.4293621  1 -119.7287687  1     2     1     3
  H     1.07075965  1  120.8270603  1   31.3241088  1     1     2     3
  H     1.07072086  1  120.8725252  1 -149.5152318  1     1     2     3