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

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

CCD/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3379   0.0000 0.0000 0.3379
H2 0.0000 0.0000 1.4242   0.0000 0.0000 1.4242
F3 0.0000 1.2448 -0.1278   -0.7676 0.9799 -0.1278
F4 1.0780 -0.6224 -0.1278   1.2324 0.1749 -0.1278
F5 -1.0780 -0.6224 -0.1278   -0.4648 -1.1547 -0.1278
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0863 1.3290 1.3290 1.3290
H2 1.0863 1.9895 1.9895 1.9895
F3 1.3290 1.9895 2.1560 2.1560
F4 1.3290 1.9895 2.1560 2.1560
F5 1.3290 1.9895 2.1560 2.1560
Maximum atom distance is 2.1560Å 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 108.409 F3 C1 F5 108.409
F4 C1 F5 108.409
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.514 H2 C1 F4 110.514
H2 C1 F5 110.514

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