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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/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3458   0.0000 0.0000 0.3458
H2 0.0000 0.0000 1.4417   0.0000 0.0000 1.4417
F3 0.0000 1.2659 -0.1302   -0.3383 1.2198 -0.1302
F4 1.0963 -0.6329 -0.1302   1.2255 -0.3170 -0.1302
F5 -1.0963 -0.6329 -0.1302   -0.8873 -0.9029 -0.1302
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0960 1.3524 1.3524 1.3524
H2 1.0960 2.0183 2.0183 2.0183
F3 1.3524 2.0183 2.1926 2.1926
F4 1.3524 2.0183 2.1926 2.1926
F5 1.3524 2.0183 2.1926 2.1926
Maximum atom distance is 2.1926Å 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 108.312 F3 C1 F5 108.312
F4 C1 F5 108.312
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.607 H2 C1 F4 110.607
H2 C1 F5 110.607

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