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

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

B3LYP/CEP-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 0.3622   0.0000 0.0000 0.3622
H2 0.0000 0.0000 1.4598   0.0000 0.0000 1.4598
F3 0.0000 1.3084 -0.1345   -0.2653 1.2812 -0.1345
F4 1.1331 -0.6542 -0.1345   1.2422 -0.4108 -0.1345
F5 -1.1331 -0.6542 -0.1345   -0.9769 -0.8704 -0.1345
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0976 1.3995 1.3995 1.3995
H2 1.0976 2.0625 2.0625 2.0625
F3 1.3995 2.0625 2.2662 2.2662
F4 1.3995 2.0625 2.2662 2.2662
F5 1.3995 2.0625 2.2662 2.2662
Maximum atom distance is 2.2662Å 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 108.122 F3 C1 F5 108.122
F4 C1 F5 108.122
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.789 H2 C1 F4 110.789
H2 C1 F5 110.789

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