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

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

B1B95/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3369   0.0000 0.0000 0.3369
H2 0.0000 0.0000 1.4273   0.0000 0.0000 1.4273
F3 0.0000 1.2491 -0.1277   -0.1962 1.2336 -0.1277
F4 1.0817 -0.6245 -0.1277   1.1664 -0.4469 -0.1277
F5 -1.0817 -0.6245 -0.1277   -0.9702 -0.7867 -0.1277
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0903 1.3327 1.3327 1.3327
H2 1.0903 1.9945 1.9945 1.9945
F3 1.3327 1.9945 2.1634 2.1634
F4 1.3327 1.9945 2.1634 2.1634
F5 1.3327 1.9945 2.1634 2.1634
Maximum atom distance is 2.1634Å 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 108.521 F3 C1 F5 108.521
F4 C1 F5 108.521
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.406 H2 C1 F4 110.406
H2 C1 F5 110.406

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