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

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

MP2/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3487   0.0000 0.0000 0.3487
H2 0.0000 0.0000 1.4317   0.0000 0.0000 1.4317
F3 0.0000 1.2860 -0.1305   1.2845 0.0627 -0.1305
F4 1.1137 -0.6430 -0.1305   -0.6965 1.0810 -0.1305
F5 -1.1137 -0.6430 -0.1305   -0.5879 -1.1437 -0.1305
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0829 1.3724 1.3724 1.3724
H2 1.0829 2.0234 2.0234 2.0234
F3 1.3724 2.0234 2.2274 2.2274
F4 1.3724 2.0234 2.2274 2.2274
F5 1.3724 2.0234 2.2274 2.2274
Maximum atom distance is 2.2274Å 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 108.487 F3 C1 F5 108.487
F4 C1 F5 108.487
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.439 H2 C1 F4 110.439
H2 C1 F5 110.439

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