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

b3o3f3   1605 B3O3F3

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1595 Nitrogen trifluorideNF3
  1596 Trifluoroacetonitrile (Geo)C2NF3
  1597 TrifluoroacetonitrileC2NF3
  1598 TrifluoromethylisocyanideC2NF3
  1599 Trimethyamine-Boron trifluorideH9BC3NF3
  1600 BF3OH, anion (Geo)HBOF3
  1601 (CH3)2O-BF3H6BC2OF3
  1602 (CH3CH2)2O-BF3H10BC4OF3
  1603 F3NONOF3
  1604 Trifluoroacetic acidHC2O2F3
  1605 B3O3F3 B3O3F3
  1606 Be(II)F4(2-) (KIPPEE) (Geo)BeF4
  1607 Be(II)F4(2-) (KIPPEE)BeF4
  1608 Fluoroboric acid anion (Geo)BF4
  1609 Fluoroboric acid anionBF4
  1610 B2F4 (Geo)B2F4
  1611 TetrafluorodiboraneB2F4
  1612 Carbon tetrafluorideCF4
  1613 Carbon tetrafluoride (Geo)CF4
  1614 Tetrafluoroethylene (Geo)C2F4
  1615 TetrafluoroethyleneC2F4


ΔHf: -567.7 kcal/mol,     REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
  
 PM7
B3O3F3
 H=-567.7 HR=HLKS1979
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.40016683 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.40094743 +1  118.9687480 +1    0.0000000 +0     2     1     0
  O     1.40013218 +1  121.0447323 +1   -0.0563178 +1     3     2     1
  B     1.40086332 +1  118.9474634 +1   -0.0189512 +1     4     3     2
  O     1.40013939 +1  121.0431008 +1    0.0302985 +1     5     4     3
  F     1.30579024 +1  119.4695940 +1  179.9502100 +1     1     6     5
  F     1.30588912 +1  119.4806382 +1 -179.9953374 +1     5     6     1
  F     1.30585383 +1  119.3787449 +1  179.9435171 +1     3     2     1