PM7 Accuracy

trimethyamine-boron trifluoride   1600 Trimethyamine-Boron trifluoride

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1590 CH2F.CF2, cationC2H2F3
  1591 CF3CH2.C2H2F3
  1592 1,1,1-TrifluoroethaneC2H3F3
  1593 (Trifluoromethyl)-benzeneC7H5F3
  1594 TrifluoromethylbenzeneC7H5F3
  1595 Nitrogen trifluoride (Geo)NF3
  1596 Nitrogen trifluorideNF3
  1597 Trifluoroacetonitrile (Geo)C2NF3
  1598 TrifluoroacetonitrileC2NF3
  1599 TrifluoromethylisocyanideC2NF3
  1600 Trimethyamine-Boron trifluoride H9BC3NF3
  1601 BF3OH, anion (Geo)HBOF3
  1602 (CH3)2O-BF3H6BC2OF3
  1603 (CH3CH2)2O-BF3H10BC4OF3
  1604 F3NONOF3
  1605 Trifluoroacetic acidHC2O2F3
  1606 B3O3F3B3O3F3
  1607 Be(II)F4(2-) (KIPPEE) (Geo)BeF4
  1608 Be(II)F4(2-) (KIPPEE)BeF4
  1609 Fluoroboric acid anion (Geo)BF4
  1610 Fluoroboric acid anionBF4


DHf: -304.4 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
  
 PM7
Trimethyamine-Boron trifluoride
 H=-304.4 HR=WEPS1982
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.49496915  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.10078961  1  112.1656406  1    0.0000000  0     2     1     0
  H     1.10616378  1  110.9925297  1  120.8057893  1     2     1     3
  H     1.10619106  1  110.9428937  1 -120.8044632  1     2     1     3
  C     1.49497971  1  108.8811014  1   59.0712878  1     1     2     3
  H     1.10618352  1  110.9807198  1   60.9493288  1     6     1     2
  H     1.10643520  1  110.9150586  1  118.3838976  1     6     1     7
  H     1.10069888  1  112.2000553  1 -120.8323989  1     6     1     7
  C     1.49509078  1  108.8550696  1 -118.6141190  1     1     2     6
  H     1.10074426  1  112.1879365  1   59.1143100  1    10     1     2
  H     1.10623827  1  110.9668512  1  120.7883851  1    10     1    11
  H     1.10627429  1  110.9403716  1 -120.8094798  1    10     1    11
  B     1.68931165  1  110.0984488  1  120.7120361  1     1     2     6
  F     1.36154872  1  108.0868271  1   59.3206518  1    14     1     2
  F     1.36165541  1  108.0553552  1  179.3115152  1    14     1     2
  F     1.36152138  1  108.0769129  1  -60.6961644  1    14     1     2