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

fluoroacetylene   1498 Fluoroacetylene

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    #  Species Formula
  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 FluoromethaneCH3F
  1497 Fluoroacetylene (Geo)HC2F
  1498 Fluoroacetylene HC2F
  1499 Fluoroethylene (Geo)C2H3F
  1500 FluoroethyleneC2H3F
  1501 CH3CHF, cationC2H4F
  1502 FluoroethaneC2H5F
  1503 Fluoroallene (Geo)C3H3F
  1504 2-FluoropropaneC3H7F
  1505 FluorobenzeneC6H5F
  1506 FluorocyclohexaneC6H11F
  1507 1-FluorononaneC9H19F
  1508 Cyanogen fluorideCNF


ΔHf: 30.0 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).
Dipole: 0.7 Debye,     REF: J. K. Tyler, J. Sheridan, Trans. Faraday Soc., 59, 2661 (1963).
I.P.: 11.3 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Fluoroacetylene
 DR=TS1963 H=30.0 HR=JANAF86 D=0.7 I=11.3 IR=LLNBS82 S=55.38 CP=12.52
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.02933812 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.20600647 +1  180.0000000 +0    0.0000000 +0     2     1     0
  F     1.27726673 +1  180.0000000 +0    0.0000000 +1     3     2     1