Accuracy

nitrogen trifluoride   1593 Nitrogen trifluoride

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    #  Species Formula
  1583 Trifluoromethane (Geo)HCF3
  1584 TrifluoromethaneHCF3
  1585 TrifluoroethyleneHC2F3
  1586 CF3CH2, cationC2H2F3
  1587 CH2F.CF2, cationC2H2F3
  1588 CF3CH2.C2H2F3
  1589 1,1,1-TrifluoroethaneC2H3F3
  1590 (Trifluoromethyl)-benzeneC7H5F3
  1591 TrifluoromethylbenzeneC7H5F3
  1592 Nitrogen trifluoride (Geo)NF3
  1593 Nitrogen trifluoride NF3
  1594 Trifluoroacetonitrile (Geo)C2NF3
  1595 TrifluoroacetonitrileC2NF3
  1596 TrifluoromethylisocyanideC2NF3
  1597 Trimethyamine-Boron trifluorideH9BC3NF3
  1598 BF3OH, anion (Geo)HBOF3
  1599 (CH3)2O-BF3H6BC2OF3
  1600 (CH3CH2)2O-BF3H10BC4OF3
  1601 F3NONOF3
  1602 Trifluoroacetic acidHC2O2F3
  1603 B3O3F3B3O3F3


ΔHf: -31.6 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: 0.2 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 13.7 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.
  
 SYMMETRY PM7
Nitrogen trifluoride
 I=13.73 IR=LLNBS82 D=.24 HR=JANAF86 H=-31.6 DR=MCC1963 S=62.33 CP=12.76
 
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.36495796 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0  120.0000000 +0    0.0000000 +0     2     1     0
  F     1.36495796 +0  117.0472386 +1  180.0000000 +1     1     2     3
  F     1.36495796 +0  117.0472386 +0   60.0000000 +0     1     2     3
  F     1.36495796 +0  117.0472386 +0  -60.0000000 +0     1     2     3
 
   2  1    4    5    6
   4  2    5    6