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

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

PBEPBE/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 0.3420   0.0000 -0.0000 0.3420
H2 0.0000 0.0000 1.4534   0.0000 -0.0000 1.4534
F3 0.0000 1.2677 -0.1298   0.0000 1.2677 -0.1298
F4 1.0979 -0.6339 -0.1298   1.0979 -0.6338 -0.1298
F5 -1.0979 -0.6339 -0.1298   -1.0979 -0.6338 -0.1298
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.1114 1.3527 1.3527 1.3527
H2 1.1114 2.0282 2.0282 2.0282
F3 1.3527 2.0282 2.1957 2.1957
F4 1.3527 2.0282 2.1957 2.1957
F5 1.3527 2.0282 2.1957 2.1957
Maximum atom distance is 2.1957Å 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 108.510 F3 C1 F5 108.510
F4 C1 F5 108.510
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.416 H2 C1 F4 110.416
H2 C1 F5 110.416

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