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

fluoromethane   1496 Fluoromethane

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    #  Species Formula
  1486 BFBF
  1487 BF (Geo)BF
  1488 BH2FH2BF
  1489 BH2F (Geo)H2BF
  1490 Fluoromethylidyne (Geo)CF
  1491 FluoromethylidyneCF
  1492 Fluoromethylene (Geo)HCF
  1493 Fluoromethyl, cationCH2F
  1494 Fluoromethyl, radicalCH2F
  1495 Fluoromethane (Geo)CH3F
  1496 Fluoromethane CH3F
  1497 Fluoroacetylene (Geo)HC2F
  1498 FluoroacetyleneHC2F
  1499 Fluoroethylene (Geo)C2H3F
  1500 FluoroethyleneC2H3F
  1501 CH3CHF, cationC2H4F
  1502 FluoroethaneC2H5F
  1503 Fluoroallene (Geo)C3H3F
  1504 2-FluoropropaneC3H7F
  1505 FluorobenzeneC6H5F
  1506 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