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

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

MP2/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3359   0.0000 0.0000 0.3359
H2 0.0000 0.0000 1.4234   0.0000 0.0000 1.4234
F3 0.0000 1.2524 -0.1274   -0.1356 1.2450 -0.1274
F4 1.0846 -0.6262 -0.1274   1.1460 -0.5051 -0.1274
F5 -1.0846 -0.6262 -0.1274   -1.0104 -0.7399 -0.1274
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0875 1.3353 1.3353 1.3353
H2 1.0875 1.9933 1.9933 1.9933
F3 1.3353 1.9933 2.1692 2.1692
F4 1.3353 1.9933 2.1692 2.1692
F5 1.3353 1.9933 2.1692 2.1692
Maximum atom distance is 2.1692Å 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 108.631 F3 C1 F5 108.631
F4 C1 F5 108.631
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.299 H2 C1 F4 110.299
H2 C1 F5 110.299

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