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

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

PBEPBEultrafine/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3402   0.0000 0.0000 0.3402
H2 0.0000 0.0000 1.4441   0.0000 0.0000 1.4441
F3 0.0000 1.2673 -0.1291   0.9680 0.8180 -0.1291
F4 1.0975 -0.6337 -0.1291   -1.1924 0.4293 -0.1291
F5 -1.0975 -0.6337 -0.1291   0.2244 -1.2473 -0.1291
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.1039 1.3514 1.3514 1.3514
H2 1.1039 2.0201 2.0201 2.0201
F3 1.3514 2.0201 2.1951 2.1951
F4 1.3514 2.0201 2.1951 2.1951
F5 1.3514 2.0201 2.1951 2.1951
Maximum atom distance is 2.1951Å 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 108.610 F3 C1 F5 108.610
F4 C1 F5 108.610
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.319 H2 C1 F4 110.319
H2 C1 F5 110.319

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