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Geometry for CHF3 (Methane, trifluoro-) 1A1 C3V

1910171554
InChI=1S/CHF3/c2-1(3)4/h1H INChIKey=XPDWGBQVDMORPB-UHFFFAOYSA-N

B2PLYP/6-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3550   0.0000 0.0000 0.3550
H2 0.0000 0.0000 1.4394   0.0000 0.0000 1.4394
F3 0.0000 1.2974 -0.1322   1.2974 0.0000 -0.1322
F4 1.1235 -0.6487 -0.1322   -0.6487 1.1235 -0.1322
F5 -1.1235 -0.6487 -0.1322   -0.6487 -1.1235 -0.1322
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0843 1.3858 1.3858 1.3858
H2 1.0843 2.0379 2.0379 2.0379
F3 1.3858 2.0379 2.2471 2.2471
F4 1.3858 2.0379 2.2471 2.2471
F5 1.3858 2.0379 2.2471 2.2471
Maximum atom distance is 2.2471Å between atoms F3 and F4.
picture of Methane, trifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 108.335 F3 C1 F5 108.335
F4 C1 F5 108.335
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.585 H2 C1 F4 110.585
H2 C1 F5 110.585

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.