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

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

wB97X-D/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3384   0.0000 0.0000 0.3384
H2 0.0000 0.0000 1.4379   0.0000 0.0000 1.4379
F3 0.0000 1.2516 -0.1285   -0.2431 1.2277 -0.1285
F4 1.0839 -0.6258 -0.1285   1.1848 -0.4033 -0.1285
F5 -1.0839 -0.6258 -0.1285   -0.9417 -0.8244 -0.1285
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0995 1.3358 1.3358 1.3358
H2 1.0995 2.0050 2.0050 2.0050
F3 1.3358 2.0050 2.1678 2.1678
F4 1.3358 2.0050 2.1678 2.1678
F5 1.3358 2.0050 2.1678 2.1678
Maximum atom distance is 2.1678Å 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 108.467 F3 C1 F5 108.467
F4 C1 F5 108.467
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.458 H2 C1 F4 110.458
H2 C1 F5 110.458

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