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

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

B97D3/daug-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 0.3408   0.0000 0.0000 0.3408
H2 0.0000 0.0000 1.4355   0.0000 0.0000 1.4355
F3 0.0000 1.2658 -0.1289   0.0000 1.2658 -0.1289
F4 1.0962 -0.6329 -0.1289   1.0962 -0.6329 -0.1289
F5 -1.0962 -0.6329 -0.1289   -1.0962 -0.6329 -0.1289
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0947 1.3501 1.3501 1.3501
H2 1.0947 2.0123 2.0123 2.0123
F3 1.3501 2.0123 2.1924 2.1924
F4 1.3501 2.0123 2.1924 2.1924
F5 1.3501 2.0123 2.1924 2.1924
Maximum atom distance is 2.1924Å 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 108.570 F3 C1 F5 108.570
F4 C1 F5 108.570
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.358 H2 C1 F4 110.358
H2 C1 F5 110.358

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