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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

TPSSh/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1741 0.7570 0.0000   0.7375 0.2439 0.0000
C2 0.1741 -0.7570 0.0000   -0.7375 -0.2439 0.0000
O3 -1.2819 1.1960 0.0000   1.6875 -0.4754 0.0000
O4 1.2819 -1.1960 0.0000   -1.6875 0.4754 0.0000
Cl5 1.2819 1.7580 0.0000   0.8378 2.0080 0.0000
Cl6 -1.2819 -1.7580 0.0000   -0.8378 -2.0080 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 Cl5 Cl6
C1 1.5536 1.1915 2.4360 1.7669 2.7482
C2 1.5536 2.4360 1.1915 2.7482 1.7669
O3 1.1915 2.4360 3.5063 2.6247 2.9540
O4 2.4360 1.1915 3.5063 2.9540 2.6247
Cl5 1.7669 2.7482 2.6247 2.9540 4.3515
Cl6 2.7482 1.7669 2.9540 2.6247 4.3515
Maximum atom distance is 4.3515Å 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 124.570 C1 C2 Cl6 111.552
C2 C1 O3 124.570 C2 C1 Cl5 111.552
O3 C1 Cl5 123.878 O4 C2 Cl6 123.878

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