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

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

B3LYP/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 0.3391   0.0000 0.0000 0.3391
H2 0.0000 0.0000 1.4329   0.0000 0.0000 1.4329
F3 0.0000 1.2581 -0.1284   -0.3097 1.2193 -0.1284
F4 1.0895 -0.6290 -0.1284   1.2108 -0.3414 -0.1284
F5 -1.0895 -0.6290 -0.1284   -0.9011 -0.8779 -0.1284
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0938 1.3421 1.3421 1.3421
H2 1.0938 2.0051 2.0051 2.0051
F3 1.3421 2.0051 2.1790 2.1790
F4 1.3421 2.0051 2.1790 2.1790
F5 1.3421 2.0051 2.1790 2.1790
Maximum atom distance is 2.1790Å 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 108.541 F3 C1 F5 108.541
F4 C1 F5 108.541
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.386 H2 C1 F4 110.386
H2 C1 F5 110.386

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