PM7 Accuracy

(trifluoromethyl)-benzene   1593 (Trifluoromethyl)-benzene

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    #  Species Formula
  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)-benzene C7H5F3
  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


DHf: -138.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
(Trifluoromethyl)-benzene
 H=-138.87 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39266371  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39442982  1  120.0057728  1    0.0000000  0     2     1     0
  C     1.39382968  1  120.0994469  1    0.0713081  1     3     2     1
  C     1.39445317  1  120.2164709  1    0.0319908  1     4     3     2
  C     1.39334369  1  119.4056749  1   -0.0393423  1     5     4     3
  C     1.50058655  1  121.2742831  1 -179.9789309  1     6     5     4
  H     1.09178372  1  119.6716064  1  179.9348422  1     1     2     3
  H     1.08912969  1  119.8862329  1 -179.9717299  1     2     1     3
  H     1.08976292  1  119.9564027  1 -179.9995664  1     3     2     4
  H     1.08926500  1  119.9973092  1 -179.9911242  1     4     3     5
  H     1.09113491  1  119.1657170  1 -179.9968948  1     5     4     6
  F     1.33438926  1  113.5663457  1 -121.5603547  1     7     6     5
  F     1.33436233  1  113.5095737  1 -119.0398514  1     7     6    13
  F     1.33211188  1  115.9163420  1 -120.4863608  1     7     6    14