Accuracy

###
1304 Trifluoromethane

(Previous) (Back) (Next) Geometry predicted using PM7

###  |  |
# | Species | Formula
1294 | cis-Difluorodiazene | N2F2 |
1295 | trans-Difluorodiazene | N2F2 |
1296 | NF2-CN (Geo) | CN2F2 |
1297 | Difluorine oxide | OF2 |
1298 | F2O (Geo) | OF2 |
1299 | Carbonyl fluoride | COF2 |
1300 | Carbonyl difluoride (Geo) | COF2 |
1301 | Trifluoromethyl | CF3 |
1302 | Trifluoromethane, cation | HCF3 |
1303 | Trifluoromethane (Geo) | HCF3 |
1304 | Trifluoromethane | HCF3 |
1305 | Trifluoroethylene | HC2F3 |
1306 | CF3CH2, cation | C2H2F3 |
1307 | CH2F.CF2, cation | C2H2F3 |
1308 | CF3CH2. | C2H2F3 |
1309 | 1,1,1-Trifluoroethane | C2H3F3 |
1310 | (Trifluoromethyl)-benzene | C7H5F3 |
1311 | Trifluoromethylbenzene | C7H5F3 |
1312 | Nitrogen trifluoride (Geo) | NF3 |
1313 | Nitrogen trifluoride | NF3 |
1314 | Trifluoroacetonitrile (Geo) | C2NF3 |

ΔHf: -166.3 kcal/mol
Dipole: 1.7 Debye, REF:
I.P.: 14.8 eV, REF:

     SYMMETRY
    Trifluoromethane
     I=14.8 IR=LLNBS82 D=1.65 HR=C&P1970 H=-166.3 DR=WMK1971

      H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
      C     1.08843914 +1    0.0000000 +0    0.0000000 +0     1     0     0
      F     1.33525485 +1  113.1231485 +1    0.0000000 +0     2     1     0
      F     1.33525485 +0  113.0820438 +1 -119.9807485 +1     2     1     3
      F     1.33525485 +0  113.1182197 +1  120.0352751 +1     2     1     3

       3  1    4    5