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

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

HF/TZVP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3321   0.0000 0.0000 0.3321
H2 0.0000 0.0000 1.4090   0.0000 0.0000 1.4090
F3 0.0000 1.2295 -0.1260   1.0557 0.6302 -0.1260
F4 1.0648 -0.6148 -0.1260   -1.0736 0.5992 -0.1260
F5 -1.0648 -0.6148 -0.1260   0.0179 -1.2294 -0.1260
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0769 1.3121 1.3121 1.3121
H2 1.0769 1.9667 1.9667 1.9667
F3 1.3121 1.9667 2.1296 2.1296
F4 1.3121 1.9667 2.1296 2.1296
F5 1.3121 1.9667 2.1296 2.1296
Maximum atom distance is 2.1296Å 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 108.490 F3 C1 F5 108.490
F4 C1 F5 108.490
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.435 H2 C1 F4 110.435
H2 C1 F5 110.435

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