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

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

CCSD(T)=FULL/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3462   0.0000 0.0000 0.3462
H2 0.0000 0.0000 1.4450   0.0000 0.0000 1.4450
F3 0.0000 1.2657 -0.1305   -0.3658 1.2116 -0.1305
F4 1.0961 -0.6328 -0.1305   1.2322 -0.2890 -0.1305
F5 -1.0961 -0.6328 -0.1305   -0.8664 -0.9226 -0.1305
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0988 1.3525 1.3525 1.3525
H2 1.0988 2.0209 2.0209 2.0209
F3 1.3525 2.0209 2.1922 2.1922
F4 1.3525 2.0209 2.1922 2.1922
F5 1.3525 2.0209 2.1922 2.1922
Maximum atom distance is 2.1922Å 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 108.280 F3 C1 F5 108.280
F4 C1 F5 108.280
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.637 H2 C1 F4 110.637
H2 C1 F5 110.637

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