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

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

B2PLYP=FULL/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 0.3374   0.0000 -0.0000 0.3374
H2 0.0000 0.0000 1.4244   0.0000 -0.0000 1.4244
F3 0.0000 1.2539 -0.1277   1.2539 0.0000 -0.1277
F4 1.0859 -0.6270 -0.1277   -0.6270 1.0859 -0.1277
F5 -1.0859 -0.6270 -0.1277   -0.6270 -1.0859 -0.1277
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0870 1.3374 1.3374 1.3374
H2 1.0870 1.9954 1.9954 1.9954
F3 1.3374 1.9954 2.1719 2.1719
F4 1.3374 1.9954 2.1719 2.1719
F5 1.3374 1.9954 2.1719 2.1719
Maximum atom distance is 2.1719Å 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 108.576 F3 C1 F5 108.576
F4 C1 F5 108.576
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.352 H2 C1 F4 110.352
H2 C1 F5 110.352

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