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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
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 |
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-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 |
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Maximum atom distance is 2.9291Å
between atoms H3 and O5.
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 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl1 |
O2 |
H5 |
34.008 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.