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

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

MP2/LANL2DZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3674   0.0000 0.0000 0.3674
H2 0.0000 0.0000 1.4591   0.0000 0.0000 1.4591
F3 0.0000 1.3176 -0.1357   1.3176 0.0000 -0.1357
F4 1.1411 -0.6588 -0.1357   -0.6588 1.1411 -0.1357
F5 -1.1411 -0.6588 -0.1357   -0.6588 -1.1411 -0.1357
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0917 1.4104 1.4104 1.4104
H2 1.0917 2.0687 2.0687 2.0687
F3 1.4104 2.0687 2.2822 2.2822
F4 1.4104 2.0687 2.2822 2.2822
F5 1.4104 2.0687 2.2822 2.2822
Maximum atom distance is 2.2822Å 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 108.007 F3 C1 F5 108.007
F4 C1 F5 108.007
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.898 H2 C1 F4 110.898
H2 C1 F5 110.898

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