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Geometry for CH2CF2 (Ethene, 1,1-difluoro-) 1A1 C2V

1910171554
InChI=1S/C2H2F2/c1-2(3)4/h1H2 INChIKey=BQCIDUSAKPWEOX-UHFFFAOYSA-N

B1B95/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3854   1.3854 0.0000 0.0000
C2 0.0000 0.0000 0.0669   0.0669 0.0000 0.0000
H3 0.0000 0.9408 1.9210   1.9210 0.9408 0.0000
H4 0.0000 -0.9408 1.9210   1.9210 -0.9408 0.0000
F5 0.0000 1.0785 -0.6975   -0.6975 1.0785 0.0000
F6 0.0000 -1.0785 -0.6975   -0.6975 -1.0785 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6
C1 1.3185 1.0826 1.0826 2.3456 2.3456
C2 1.3185 2.0791 2.0791 1.3220 1.3220
H3 1.0826 2.0791 1.8816 2.6221 3.3067
H4 1.0826 2.0791 1.8816 3.3067 2.6221
F5 2.3456 1.3220 2.6221 3.3067 2.1571
F6 2.3456 1.3220 3.3067 2.6221 2.1571
Maximum atom distance is 3.3067Å between atoms H3 and F6.
picture of Ethene, 1,1-difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 125.327 C1 C2 F6 125.327
F5 C2 F6 109.347
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 119.655 C2 C1 H4 119.655
H3 C1 H4 120.690

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