PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

trifluoromethyl, anion   1583 Trifluoromethyl, anion

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1573 Carbonyl fluorideCOF2
  1574 Carbonyl difluoride (Geo)COF2
  1575 MethoxydifluoroboraneH3BCOF2
  1576 B3O3HF2HB3O3F2
  1577 Lithium fluoride, trimerLi3F3
  1578 Lithium trifluoroberyllateLiBeF3
  1579 Boron trifluoride (Geo)BF3
  1580 Boron trifluorideBF3
  1581 Trifluoromethyl, cationCF3
  1582 TrifluoromethylCF3
  1583 Trifluoromethyl, anion CF3
  1584 Trifluoromethane, cationHCF3
  1585 Trifluoromethane (Geo)HCF3
  1586 TrifluoromethaneHCF3
  1587 TrifluoroethyleneHC2F3
  1588 CF3CH2, cationC2H2F3
  1589 CH2F.CF2, cationC2H2F3
  1590 CF3CH2.C2H2F3
  1591 1,1,1-TrifluoroethaneC2H3F3
  1592 (Trifluoromethyl)-benzeneC7H5F3
  1593 TrifluoromethylbenzeneC7H5F3


ΔHf: -163.4 kcal/mol,     REF: P. W. Harland, J. L. Franklin, J. Chem. Phys., 61, 1621 (1974).
  
 CHARGE=-1 SYMMETRY PM7
Trifluoromethyl, anion
 H=-163.4 HR=HF1974
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.36103657 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0  120.0000000 +0    0.0000000 +0     2     1     0
  F     1.36103657 +0  116.9635574 +1  180.0000000 +0     1     2     3
  F     1.36103657 +0  116.9635574 +0   60.0000000 +0     1     2     3
  F     1.36103657 +0  116.9635574 +0  -60.0000000 +0     1     2     3