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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

B3LYP/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3358 0.5731 0.0000   0.6135 -0.2545 0.0000
C2 0.3358 -0.5731 0.0000   -0.6135 0.2545 0.0000
F3 0.3358 1.7501 0.0000   1.6880 0.5712 0.0000
F4 -0.3358 -1.7501 0.0000   -1.6880 -0.5712 0.0000
H5 -1.4190 0.6765 0.0000   0.8636 -1.3135 0.0000
H6 1.4190 -0.6765 0.0000   -0.8636 1.3135 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6
C1 1.3284 1.3552 2.3232 1.0881 2.1543
C2 1.3284 2.3232 1.3552 2.1543 1.0881
F3 1.3552 2.3232 3.5641 2.0572 2.6574
F4 2.3232 1.3552 3.5641 2.6574 2.0572
H5 1.0881 2.1543 2.0572 2.6574 3.1440
H6 2.1543 1.0881 2.6574 2.0572 3.1440
Maximum atom distance is 3.5641Å 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 119.923 C2 C1 F3 119.923
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 125.823 C2 C1 H5 125.823
F3 C1 H5 114.254 F4 C2 H6 114.254

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