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

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

CCSD/daug-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 0.3387   0.0000 -0.0000 0.3387
H2 0.0000 0.0000 1.4252   0.0000 -0.0000 1.4252
F3 0.0000 1.2463 -0.1281   0.0000 1.2463 -0.1281
F4 1.0793 -0.6232 -0.1281   1.0793 -0.6232 -0.1281
F5 -1.0793 -0.6232 -0.1281   -1.0793 -0.6232 -0.1281
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0865 1.3309 1.3309 1.3309
H2 1.0865 1.9914 1.9914 1.9914
F3 1.3309 1.9914 2.1587 2.1587
F4 1.3309 1.9914 2.1587 2.1587
F5 1.3309 1.9914 2.1587 2.1587
Maximum atom distance is 2.1587Å 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 108.391 F3 C1 F5 108.391
F4 C1 F5 108.391
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.531 H2 C1 F4 110.531
H2 C1 F5 110.531

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