PM7 Accuracy

1,1-difluoroethane   1552 1,1-Difluoroethane

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    #  Species Formula
  1542 Difluoromethylene (Geo)CF2
  1543 DifluoromethyleneCF2
  1544 Difluoromethyl, cationHCF2
  1545 Difluoromethane, cationCH2F2
  1546 DifluoromethaneCH2F2
  1547 DifluoromethylboraneH3BCF2
  1548 MethyldifluoroboraneH3BCF2
  1549 DifluoroacetyleneC2F2
  1550 gem-DifluoroethyleneC2H2F2
  1551 CH3CF2, cationC2H3F2
  1552 1,1-Difluoroethane C2H4F2
  1553 F2BCHCH2H3BC2F2
  1554 1,2-DifluorobenzeneC6H4F2
  1555 1,3-DifluorobenzeneC6H4F2
  1556 1,4-DifluorobenzeneC6H4F2
  1557 Phenyldifluoroborane (Geo)H5BC6F2
  1558 NF2.NF2
  1559 Difluoro nitrogen, anionNF2
  1560 Aminodifluoroborane (Geo)H2BNF2
  1561 t-ButyldifluoroamineC4H9NF2
  1562 N,N'-DifluorobenzylamineC7H7NF2


DHf: -118.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.3 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 12.8 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
1,1-Difluoroethane
 D=2.3 H=-118.8 HR=C&P1970 I=12.8 IR=LLNBS82 DR=MCC1963
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52348406  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.34830601  1  110.4515780  1    0.0000000  0     2     1     0
  F     1.34844791  1  110.4311837  1  111.7296840  1     2     1     3
  H     1.13064596  1  113.9432780  1 -124.1653994  1     2     1     3
  H     1.09832155  1  111.3300341  1   63.6154931  1     1     2     3
  H     1.09825572  1  111.3186351  1 -176.3530872  1     1     2     3
  H     1.10089142  1  112.5719328  1  -56.3609090  1     1     2     3