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

fluoroethane   1502 Fluoroethane

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    #  Species Formula
  1492 Fluoromethylene (Geo)HCF
  1493 Fluoromethyl, cationCH2F
  1494 Fluoromethyl, radicalCH2F
  1495 Fluoromethane (Geo)CH3F
  1496 FluoromethaneCH3F
  1497 Fluoroacetylene (Geo)HC2F
  1498 FluoroacetyleneHC2F
  1499 Fluoroethylene (Geo)C2H3F
  1500 FluoroethyleneC2H3F
  1501 CH3CHF, cationC2H4F
  1502 Fluoroethane C2H5F
  1503 Fluoroallene (Geo)C3H3F
  1504 2-FluoropropaneC3H7F
  1505 FluorobenzeneC6H5F
  1506 FluorocyclohexaneC6H11F
  1507 1-FluorononaneC9H19F
  1508 Cyanogen fluorideCNF
  1509 Cyanogen fluoride (Geo)CNF
  1510 Fluorine oxideOF
  1511 Hypofluorous acidHOF
  1512 Lithium hypofluoriteLiOF


ΔHf: -62.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 12.4 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
Fluoroethane
 I=12.43 IR=LLNBS82 D=1.96 H=-62.9 DR=MCC1963 HR=C&P1970 S=63.21 CP=14.00
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52547651 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.36146199 +1  108.9809259 +1    0.0000000 +0     2     1     0
  H     1.11531406 +1  111.5077787 +1  119.3891919 +1     2     1     3
  H     1.11531175 +1  111.4976322 +1 -119.3753537 +1     2     1     3
  H     1.09796644 +1  111.8559969 +1   60.0455567 +1     1     2     3
  H     1.09588618 +1  110.9960620 +1 -179.9365395 +1     1     2     3
  H     1.09798555 +1  111.8644578 +1  -59.9104066 +1     1     2     3