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

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

BLYP/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 0.3438   0.0000 0.0000 0.3438
H2 0.0000 0.0000 1.4397   0.0000 0.0000 1.4397
F3 0.0000 1.2731 -0.1297   1.2731 -0.0000 -0.1297
F4 1.1025 -0.6365 -0.1297   -0.6365 1.1025 -0.1297
F5 -1.1025 -0.6365 -0.1297   -0.6365 -1.1025 -0.1297
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0959 1.3583 1.3583 1.3583
H2 1.0959 2.0209 2.0209 2.0209
F3 1.3583 2.0209 2.2051 2.2051
F4 1.3583 2.0209 2.2051 2.2051
F5 1.3583 2.0209 2.2051 2.2051
Maximum atom distance is 2.2051Å between atoms F4 and F5.
picture of Methane, trifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 108.523 F3 C1 F5 108.523
F4 C1 F5 108.523
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.404 H2 C1 F4 110.404
H2 C1 F5 110.404

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