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Geometry for C2H2F2 (Ethene, 1,2-difluoro-, (E)-) 1Ag C2H

1910171554
InChI=1S/C2H2F2/c3-1-2-4/h1-2H/b2-1+ INChIKey=WFLOTYSKFUPZQB-OWOJBTEDSA-N

B3PW91/cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3301 0.5717 0.0000   0.6104 -0.2515 0.0000
C2 0.3301 -0.5717 0.0000   -0.6104 0.2515 0.0000
F3 0.3301 1.7356 0.0000   1.6767 0.5567 0.0000
F4 -0.3301 -1.7356 0.0000   -1.6767 -0.5567 0.0000
H5 -1.4078 0.6639 0.0000   0.8443 -1.3076 0.0000
H6 1.4078 -0.6639 0.0000   -0.8443 1.3076 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6
C1 1.3203 1.3380 2.3073 1.0817 2.1323
C2 1.3203 2.3073 1.3380 2.1323 1.0817
F3 1.3380 2.3073 3.5334 2.0417 2.6304
F4 2.3073 1.3380 3.5334 2.6304 2.0417
H5 1.0817 2.1323 2.0417 2.6304 3.1130
H6 2.1323 1.0817 2.6304 2.0417 3.1130
Maximum atom distance is 3.5334Å between atoms F3 and F4.
picture of Ethene, 1,2-difluoro-, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 120.441 C2 C1 F3 120.441
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 124.888 C2 C1 H5 124.888
F3 C1 H5 114.671 F4 C2 H6 114.671

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