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

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

HSEh1PBE/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3342   0.0000 0.0000 0.3342
H2 0.0000 0.0000 1.4302   0.0000 0.0000 1.4302
F3 0.0000 1.2441 -0.1272   0.0000 1.2441 -0.1272
F4 1.0774 -0.6221 -0.1272   1.0774 -0.6221 -0.1272
F5 -1.0774 -0.6221 -0.1272   -1.0774 -0.6221 -0.1272
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0960 1.3269 1.3269 1.3269
H2 1.0960 1.9933 1.9933 1.9933
F3 1.3269 1.9933 2.1549 2.1549
F4 1.3269 1.9933 2.1549 2.1549
F5 1.3269 1.9933 2.1549 2.1549
Maximum atom distance is 2.1549Å 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 108.580 F3 C1 F5 108.580
F4 C1 F5 108.580
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.349 H2 C1 F4 110.349
H2 C1 F5 110.349

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