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

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

CID/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3329   0.0000 0.0000 0.3329
H2 0.0000 0.0000 1.4150   0.0000 0.0000 1.4150
F3 0.0000 1.2394 -0.1264   -0.2332 1.2173 -0.1264
F4 1.0734 -0.6197 -0.1264   1.1708 -0.4066 -0.1264
F5 -1.0734 -0.6197 -0.1264   -0.9376 -0.8106 -0.1264
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0822 1.3218 1.3218 1.3218
H2 1.0822 1.9779 1.9779 1.9779
F3 1.3218 1.9779 2.1467 2.1467
F4 1.3218 1.9779 2.1467 2.1467
F5 1.3218 1.9779 2.1467 2.1467
Maximum atom distance is 2.1467Å 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 108.597 F3 C1 F5 108.597
F4 C1 F5 108.597
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.331 H2 C1 F4 110.331
H2 C1 F5 110.331

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