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

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

HSEh1PBE/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3360   0.0000 0.0000 0.3360
H2 0.0000 0.0000 1.4262   0.0000 0.0000 1.4262
F3 0.0000 1.2498 -0.1275   -0.1894 1.2354 -0.1275
F4 1.0823 -0.6249 -0.1275   1.1646 -0.4536 -0.1275
F5 -1.0823 -0.6249 -0.1275   -0.9751 -0.7817 -0.1275
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0902 1.3330 1.3330 1.3330
H2 1.0902 1.9940 1.9940 1.9940
F3 1.3330 1.9940 2.1647 2.1647
F4 1.3330 1.9940 2.1647 2.1647
F5 1.3330 1.9940 2.1647 2.1647
Maximum atom distance is 2.1647Å 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 108.581 F3 C1 F5 108.581
F4 C1 F5 108.581
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.348 H2 C1 F4 110.348
H2 C1 F5 110.348

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