return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for HClO3 (Chloric Acid) 1A C1

1910171554
InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4) INChIKey=XTEGARKTQYYJKE-UHFFFAOYSA-N

TPSSh/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.1711 -0.0001 -0.3468   -0.1816 0.0001 0.3414
O2 1.5826 0.0015 0.0451   1.5832 -0.0014 0.0031
H3 1.5563 0.0004 1.0300   1.5869 -0.0002 -0.9821
O4 -0.7081 1.2545 0.2816   -0.6991 -1.2545 -0.3030
O5 -0.7054 -1.2558 0.2814   -0.6966 1.2558 -0.3028
Atom - Atom Distances (Å)
  Cl1 O2 H3 O4 O5
Cl1 1.7970 2.2089 1.5024 1.5023
O2 1.7970 0.9852 2.6217 2.6214
H3 2.2089 0.9852 2.6945 2.6932
O4 1.5024 2.6217 2.6945 2.5103
O5 1.5023 2.6214 2.6932 2.5103
Maximum atom distance is 2.6945Å between atoms H3 and O4.
picture of Chloric Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Cl1 O3 25.958 O2 Cl1 O4 104.884
O3 Cl1 O4 91.069
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 O2 H5 33.635

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