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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-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 0.3440   0.0000 0.0000 0.3440
H2 0.0000 0.0000 1.4419   0.0000 0.0000 1.4419
F3 0.0000 1.2601 -0.1299   1.0691 -0.6671 -0.1299
F4 1.0913 -0.6301 -0.1299   0.0432 1.2594 -0.1299
F5 -1.0913 -0.6301 -0.1299   -1.1123 -0.5923 -0.1299
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0978 1.3463 1.3463 1.3463
H2 1.0978 2.0145 2.0145 2.0145
F3 1.3463 2.0145 2.1826 2.1826
F4 1.3463 2.0145 2.1826 2.1826
F5 1.3463 2.0145 2.1826 2.1826
Maximum atom distance is 2.1826Å 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 108.310 F3 C1 F5 108.310
F4 C1 F5 108.310
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.609 H2 C1 F4 110.609
H2 C1 F5 110.609

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