return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH2F2 (Methane, difluoro-) 1A1 C2V

1910171554
InChI=1S/CH2F2/c2-1-3/h1H2 INChIKey=RWRIWBAIICGTTQ-UHFFFAOYSA-N

CID/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4957   0.4957 0.0000 0.0000
H2 -0.8995 0.0000 1.0952   1.0952 -0.8995 0.0000
H3 0.8995 0.0000 1.0952   1.0952 0.8995 0.0000
F4 0.0000 1.0875 -0.2869   -0.2869 0.0000 1.0875
F5 0.0000 -1.0875 -0.2869   -0.2869 0.0000 -1.0875
Atom - Atom Distances (Å)
  C1 H2 H3 F4 F5
C1 1.0809 1.0809 1.3398 1.3398
H2 1.0809 1.7989 1.9753 1.9753
H3 1.0809 1.7989 1.9753 1.9753
F4 1.3398 1.9753 1.9753 2.1750
F5 1.3398 1.9753 1.9753 2.1750
Maximum atom distance is 2.1750Å between atoms F4 and F5.
picture of Methane, difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F4 C1 F5 108.514
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.636 H2 C1 F4 108.903
H2 C1 F5 108.903 H3 C1 F4 108.903
H3 C1 F5 108.903

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