Accuracy

trifluoromethyl   1580 Trifluoromethyl

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    #  Species Formula
  1570 F2BOHHBOF2
  1571 Carbonyl fluorideCOF2
  1572 Carbonyl difluoride (Geo)COF2
  1573 MethoxydifluoroboraneH3BCOF2
  1574 B3O3HF2HB3O3F2
  1575 Lithium fluoride, trimerLi3F3
  1576 Lithium trifluoroberyllateLiBeF3
  1577 Boron trifluoride (Geo)BF3
  1578 Boron trifluorideBF3
  1579 Trifluoromethyl, cationCF3
  1580 Trifluoromethyl CF3
  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)-benzeneC7H5F3


ΔHf: -112.4 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).
  
 OPEN(1,1) SYMMETRY PM7
Trifluoromethyl
 H=-112.4 HR=JANAF86
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.29772165 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0  120.0000000 +0    0.0000000 +0     2     1     0
  F     1.29772165 +0  105.6657806 +1  180.0000000 +0     1     2     3
  F     1.29772165 +0  105.6657806 +0   60.0000000 +0     1     2     3
  F     1.29772165 +0  105.6657806 +0  -60.0000000 +0     1     2     3
 
   2  1    4    5    6
   4  2    5    6