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

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

B2PLYP/6-31+G**


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 1.4309   0.0000 0.0000 1.4309
F3 0.0000 1.2614 -0.1294   0.0000 1.2614 -0.1294
F4 1.0924 -0.6307 -0.1294   1.0924 -0.6307 -0.1294
F5 -1.0924 -0.6307 -0.1294   -1.0924 -0.6307 -0.1294
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0873 1.3472 1.3472 1.3472
H2 1.0873 2.0064 2.0064 2.0064
F3 1.3472 2.0064 2.1849 2.1849
F4 1.3472 2.0064 2.1849 2.1849
F5 1.3472 2.0064 2.1849 2.1849
Maximum atom distance is 2.1849Å 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 108.366 F3 C1 F5 108.366
F4 C1 F5 108.366
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.555 H2 C1 F4 110.555
H2 C1 F5 110.555

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