Accuracy

(trifluoromethyl)-benzene   1590 (Trifluoromethyl)-benzene

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    #  Species Formula
  1580 TrifluoromethylCF3
  1581 Trifluoromethyl, anionCF3
  1582 Trifluoromethane, cationHCF3
  1583 Trifluoromethane (Geo)HCF3
  1584 TrifluoromethaneHCF3
  1585 TrifluoroethyleneHC2F3
  1586 CF3CH2, cationC2H2F3
  1587 CH2F.CF2, cationC2H2F3
  1588 CF3CH2.C2H2F3
  1589 1,1,1-TrifluoroethaneC2H3F3
  1590 (Trifluoromethyl)-benzene C7H5F3
  1591 TrifluoromethylbenzeneC7H5F3
  1592 Nitrogen trifluoride (Geo)NF3
  1593 Nitrogen trifluorideNF3
  1594 Trifluoroacetonitrile (Geo)C2NF3
  1595 TrifluoroacetonitrileC2NF3
  1596 TrifluoromethylisocyanideC2NF3
  1597 Trimethyamine-Boron trifluorideH9BC3NF3
  1598 BF3OH, anion (Geo)HBOF3
  1599 (CH3)2O-BF3H6BC2OF3
  1600 (CH3CH2)2O-BF3H10BC4OF3


ΔHf: -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