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

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

PBE1PBE/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 0.3361   0.0000 0.0000 0.3361
H2 0.0000 0.0000 1.4278   0.0000 0.0000 1.4278
F3 0.0000 1.2477 -0.1276   1.2477 -0.0000 -0.1276
F4 1.0805 -0.6239 -0.1276   -0.6239 1.0805 -0.1276
F5 -1.0805 -0.6239 -0.1276   -0.6239 -1.0805 -0.1276
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0917 1.3311 1.3311 1.3311
H2 1.0917 1.9940 1.9940 1.9940
F3 1.3311 1.9940 2.1611 2.1611
F4 1.3311 1.9940 2.1611 2.1611
F5 1.3311 1.9940 2.1611 2.1611
Maximum atom distance is 2.1611Å 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 108.540 F3 C1 F5 108.540
F4 C1 F5 108.540
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.387 H2 C1 F4 110.387
H2 C1 F5 110.387

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