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

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

MP3=FULL/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3422   0.0000 0.0000 0.3422
H2 0.0000 0.0000 1.4304   0.0000 0.0000 1.4304
F3 0.0000 1.2516 -0.1290   0.9615 0.8012 -0.1290
F4 1.0839 -0.6258 -0.1290   -1.1746 0.4321 -0.1290
F5 -1.0839 -0.6258 -0.1290   0.2131 -1.2333 -0.1290
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0883 1.3373 1.3373 1.3373
H2 1.0883 1.9996 1.9996 1.9996
F3 1.3373 1.9996 2.1678 2.1678
F4 1.3373 1.9996 2.1678 2.1678
F5 1.3373 1.9996 2.1678 2.1678
Maximum atom distance is 2.1678Å between atoms F3 and F4.
picture of Methane, trifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 108.287 F3 C1 F5 108.287
F4 C1 F5 108.287
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.631 H2 C1 F4 110.631
H2 C1 F5 110.631

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