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

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

PBE1PBE/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 0.3410   0.0000 0.0000 0.3410
H2 0.0000 0.0000 1.4383   0.0000 0.0000 1.4383
F3 0.0000 1.2552 -0.1290   0.0000 1.2552 -0.1290
F4 1.0870 -0.6276 -0.1290   1.0870 -0.6276 -0.1290
F5 -1.0870 -0.6276 -0.1290   -1.0870 -0.6276 -0.1290
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0973 1.3403 1.3403 1.3403
H2 1.0973 2.0080 2.0080 2.0080
F3 1.3403 2.0080 2.1740 2.1740
F4 1.3403 2.0080 2.1740 2.1740
F5 1.3403 2.0080 2.1740 2.1740
Maximum atom distance is 2.1740Å 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 108.393 F3 C1 F5 108.393
F4 C1 F5 108.393
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.529 H2 C1 F4 110.529
H2 C1 F5 110.529

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