Accuracy

fluoromethane   1494 Fluoromethane

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    #  Species Formula
  1484 BFBF
  1485 BF (Geo)BF
  1486 BH2FH2BF
  1487 BH2F (Geo)H2BF
  1488 Fluoromethylidyne (Geo)CF
  1489 FluoromethylidyneCF
  1490 Fluoromethylene (Geo)HCF
  1491 Fluoromethyl, cationCH2F
  1492 Fluoromethyl, radicalCH2F
  1493 Fluoromethane (Geo)CH3F
  1494 Fluoromethane CH3F
  1495 Fluoroacetylene (Geo)HC2F
  1496 FluoroacetyleneHC2F
  1497 Fluoroethylene (Geo)C2H3F
  1498 FluoroethyleneC2H3F
  1499 CH3CHF, cationC2H4F
  1500 FluoroethaneC2H5F
  1501 Fluoroallene (Geo)C3H3F
  1502 2-FluoropropaneC3H7F
  1503 FluorobenzeneC6H5F
  1504 FluorocyclohexaneC6H11F


ΔHf: -56.8 kcal/mol,     REF: A. S. Rodgers, J. Chao, R. C. Wilhoit, B. J. Zwolinski, J. Phys. Chem. Ref. Data, 3, 117 (1974).
Dipole: 1.9 Debye,     REF: C. S. Wofsy, J. S. Muenter, W. Klemperer, J. Chem. Phys., 55, 2014 (1971).
I.P.: 13.3 eV,     REF: M. S. Banna, B. E. Mills, D. W. Davis, D. A. Shirley, J. Chem. Phys., 61, 4780 (1974).
  
 SYMMETRY PM7
Fluoromethane
 I=13.31 D=1.86 H=-56.8 DR=WMK1971 IR=BMDS1974 HR=RCWZ1974 S=53.27 CP=8.96
 
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36009949 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10483732 +1  109.4686836 +1    0.0000000 +0     2     1     0
  H     1.10483732 +0  109.4686836 +0 -120.0000000 +1     2     1     3
  H     1.10483732 +0  109.4686836 +0  120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5