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

SVWN/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.1687 0.0206 -0.3447   -0.1600 0.0163 -0.3491
O2 1.4172 -0.4952 0.0712   1.4307 -0.4474 0.1076
H3 1.6379 0.1391 0.7909   1.6105 0.1912 0.8350
O4 -0.2148 1.3621 0.2439   -0.2672 1.3531 0.2423
O5 -1.0487 -0.9280 0.3186   -1.0248 -0.9642 0.2875
Atom - Atom Distances (Å)
  Cl1 O2 H3 O4 O5
Cl1 1.7187 2.1372 1.4657 1.4541
O2 1.7187 0.9844 2.4784 2.5158
H3 2.1372 0.9844 2.2863 2.9291
O4 1.4657 2.4784 2.2863 2.4384
O5 1.4541 2.5158 2.9291 2.4384
Maximum atom distance is 2.9291Å between atoms H3 and O5.
picture of Chloric Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Cl1 O3 26.884 O2 Cl1 O4 101.917
O3 Cl1 O4 76.255
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 O2 H5 34.008

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