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

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

QCISD/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3393   0.0000 0.0000 0.3393
H2 0.0000 0.0000 1.4258   0.0000 0.0000 1.4258
F3 0.0000 1.2476 -0.1282   1.2476 0.0000 -0.1282
F4 1.0804 -0.6238 -0.1282   -0.6238 1.0804 -0.1282
F5 -1.0804 -0.6238 -0.1282   -0.6238 -1.0804 -0.1282
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0865 1.3323 1.3323 1.3323
H2 1.0865 1.9928 1.9928 1.9928
F3 1.3323 1.9928 2.1609 2.1609
F4 1.3323 1.9928 2.1609 2.1609
F5 1.3323 1.9928 2.1609 2.1609
Maximum atom distance is 2.1609Å 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 108.379 F3 C1 F5 108.379
F4 C1 F5 108.379
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.543 H2 C1 F4 110.543
H2 C1 F5 110.543

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