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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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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 |
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-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 |
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Maximum atom distance is 2.6945Å
between atoms H3 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
O2 |
Cl1 |
O3 |
25.958 |
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O2 |
Cl1 |
O4 |
104.884 |
O3 |
Cl1 |
O4 |
91.069 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl1 |
O2 |
H5 |
33.635 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.