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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=FULL/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3357   0.0000 0.0000 0.3357
H2 0.0000 0.0000 1.4158   0.0000 0.0000 1.4158
F3 0.0000 1.2475 -0.1270   -0.2772 1.2164 -0.1270
F4 1.0804 -0.6238 -0.1270   1.1920 -0.3681 -0.1270
F5 -1.0804 -0.6238 -0.1270   -0.9148 -0.8482 -0.1270
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0801 1.3306 1.3306 1.3306
H2 1.0801 1.9841 1.9841 1.9841
F3 1.3306 1.9841 2.1608 2.1608
F4 1.3306 1.9841 2.1608 2.1608
F5 1.3306 1.9841 2.1608 2.1608
Maximum atom distance is 2.1608Å 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 108.580 F3 C1 F5 108.580
F4 C1 F5 108.580
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.