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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

PBEPBE/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2212 0.7327 0.0000   0.7398 0.1961 0.0000
C2 0.2212 -0.7327 0.0000   -0.7398 -0.1961 0.0000
O3 -1.3413 1.1826 0.0000   1.7105 -0.5215 0.0000
O4 1.3413 -1.1826 0.0000   -1.7105 0.5215 0.0000
Cl5 1.3413 1.7928 0.0000   0.8226 2.0825 0.0000
Cl6 -1.3413 -1.7928 0.0000   -0.8226 -2.0825 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 Cl5 Cl6
C1 1.5307 1.2071 2.4717 1.8882 2.7628
C2 1.5307 2.4717 1.2071 2.7628 1.8882
O3 1.2071 2.4717 3.5764 2.7511 2.9754
O4 2.4717 1.2071 3.5764 2.9754 2.7511
Cl5 1.8882 2.7628 2.7511 2.9754 4.4781
Cl6 2.7628 1.8882 2.9754 2.7511 4.4781
Maximum atom distance is 4.4781Å 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 128.681 C1 C2 Cl6 107.360
C2 C1 O3 128.681 C2 C1 Cl5 107.360
O3 C1 Cl5 123.959 O4 C2 Cl6 123.959

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