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

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

TPSSh/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3392   0.0000 0.0000 0.3392
H2 0.0000 0.0000 1.4328   0.0000 0.0000 1.4328
F3 0.0000 1.2528 -0.1284   0.0000 1.2528 -0.1284
F4 1.0849 -0.6264 -0.1284   1.0849 -0.6264 -0.1284
F5 -1.0849 -0.6264 -0.1284   -1.0849 -0.6264 -0.1284
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0936 1.3372 1.3372 1.3372
H2 1.0936 2.0017 2.0017 2.0017
F3 1.3372 2.0017 2.1699 2.1699
F4 1.3372 2.0017 2.1699 2.1699
F5 1.3372 2.0017 2.1699 2.1699
Maximum atom distance is 2.1699Å 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 108.455 F3 C1 F5 108.455
F4 C1 F5 108.455
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.469 H2 C1 F4 110.469
H2 C1 F5 110.469

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