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

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

B3LYPultrafine/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 0.3437   0.0000 0.0000 0.3437
H2 0.0000 0.0000 1.4403   0.0000 0.0000 1.4403
F3 0.0000 1.2633 -0.1297   0.9881 0.7871 -0.1297
F4 1.0940 -0.6316 -0.1297   -1.1757 0.4622 -0.1297
F5 -1.0940 -0.6316 -0.1297   0.1876 -1.2493 -0.1297
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0966 1.3491 1.3491 1.3491
H2 1.0966 2.0151 2.0151 2.0151
F3 1.3491 2.0151 2.1881 2.1881
F4 1.3491 2.0151 2.1881 2.1881
F5 1.3491 2.0151 2.1881 2.1881
Maximum atom distance is 2.1881Å 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 108.380
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.542 H2 C1 F4 110.542
H2 C1 F5 110.542

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