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 CF2 (Difluoromethylene) 1A1 C2V

1910171554
InChI=1S/CF2/c2-1-3 INChIKey=LTVOKYUPTHZZQH-UHFFFAOYSA-N

HSEh1PBE/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 0.5946   0.5946 0.0000 0.0000
F2 0.0000 1.0272 -0.1982   -0.1982 0.0000 1.0272
F3 0.0000 -1.0272 -0.1982   -0.1982 0.0000 -1.0272
Atom - Atom Distances (Å)
  C1 F2 F3
C1 1.2976 1.2976
F2 1.2976 2.0544
F3 1.2976 2.0544
Maximum atom distance is 2.0544Å between atoms F2 and F3.
picture of Difluoromethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 F3 104.677

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