PM7 Accuracy

cyanogen fluoride   1509 Cyanogen fluoride

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    #  Species Formula
  1499 FluoroacetyleneHC2F
  1500 Fluoroethylene (Geo)C2H3F
  1501 FluoroethyleneC2H3F
  1502 CH3CHF, cationC2H4F
  1503 FluoroethaneC2H5F
  1504 Fluoroallene (Geo)C3H3F
  1505 2-FluoropropaneC3H7F
  1506 FluorobenzeneC6H5F
  1507 FluorocyclohexaneC6H11F
  1508 1-FluorononaneC9H19F
  1509 Cyanogen fluoride CNF
  1510 Cyanogen fluoride (Geo)CNF
  1511 Fluorine oxideOF
  1512 Hypofluorous acidHOF
  1513 Lithium hypofluoriteLiOF
  1514 LiF.H2OH2LiOF
  1515 LiF.H2O (Geo)H2LiOF
  1516 FBOBOF
  1517 HCOFHCOF
  1518 Acetyl fluorideC2H3OF
  1519 Nitrosyl fluoride (Geo)NOF


DHf: 8.6 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: 2.2 Debye,     REF: J. K. Tyler, J. Sheridan, Trans. Faraday Soc., 59, 2661 (1963).
  
 PM7
Cyanogen fluoride
 D=2.17 H=8.6 HR=JANAF86 DR=TS1963 S=53.70 CP=9.99
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.15198608  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.28425358  1  180.0000000  1    0.0000000  0     2     1     0