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Geometry for ClCOClCO (Oxalyl chloride) 1AG C2H

1910171554
InChI=1S/C2Cl2O2/c3-1(5)2(4)6 INChIKey=CTSLXHKWHWQRSH-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0940 0.7314 0.0000   0.6783 0.2895 0.0000
C2 0.0940 -0.7314 0.0000   -0.6783 -0.2895 0.0000
O3 -1.2683 1.2188 0.0000   1.6933 -0.4763 0.0000
O4 1.2683 -1.2188 0.0000   -1.6933 0.4763 0.0000
Cl5 1.2683 1.7877 0.0000   0.8991 1.9990 0.0000
Cl6 -1.2683 -1.7877 0.0000   -0.8991 -1.9990 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 Cl5 Cl6
C1 1.4749 1.2714 2.3789 1.7238 2.7794
C2 1.4749 2.3789 1.2714 2.7794 1.7238
O3 1.2714 2.3789 3.5179 2.5996 3.0065
O4 2.3789 1.2714 3.5179 3.0065 2.5996
Cl5 1.7238 2.7794 2.5996 3.0065 4.3838
Cl6 2.7794 1.7238 3.0065 2.5996 4.3838
Maximum atom distance is 4.3838Å between atoms Cl5 and Cl6.
picture of Oxalyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 119.858 C1 C2 Cl6 120.470
C2 C1 O3 119.858 C2 C1 Cl5 120.470
O3 C1 Cl5 119.672 O4 C2 Cl6 119.672

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