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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	¹A^'
1	2	no	C1	¹A

	hartrees
Energy at 0K	-685.315529
Energy at 298.15K	-685.318009
HF Energy	-684.398111
Nuclear repulsion energy	188.276150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3710	3546
2	A'	1142	1092
3	A'	953	911
4	A'	557	533
5	A'	476	455
6	A'	362	346
7	A"	1085	1037
8	A"	375	359
9	A"	146	139

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.372	0.132	0.000
O2	-0.214	-1.544	0.000
H3	-1.181	-1.409	0.000
O4	-0.214	0.720	1.244
O5	-0.214	0.720	-1.244

	Cl1	O2	H3	O4	O5
Cl1		1.7747	2.1872	1.4956	1.4956
O2	1.7747		0.9758	2.5827	2.5827
H3	2.1872	0.9758		2.6484	2.6484
O4	1.4956	2.5827	2.6484		2.4881
O5	1.4956	2.5827	2.6484	2.4881

All results from a given calculation for HClO₃ (Chloric Acid)

using model chemistry: CCSD(T)=FULL/TZVP

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3709	3546
2	A	1143	1093
3	A	1087	1039
4	A	958	916
5	A	558	534
6	A	487	466
7	A	376	360
8	A	365	349
9	A	130	124

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.170	-0.000	-0.356
O2	1.557	0.006	0.049
H3	1.526	0.000	1.025
O4	-0.698	1.241	0.290
O5	-0.688	-1.247	0.289

	Cl1	O2	H3	O4	O5
Cl1		1.7746	2.1874	1.4955	1.4957
O2	1.7746		0.9758	2.5828	2.5819
H3	2.1874	0.9758		2.6509	2.6453
O4	1.4955	2.5828	2.6509		2.4878
O5	1.4957	2.5819	2.6453	2.4878

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.186		O2	Cl1	O3	25.937
O2	Cl1	O4	103.998		O3	Cl1	O4	89.943

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.209		O2	Cl1	O3	25.935
O2	Cl1	O4	104.010		O3	Cl1	O4	90.054

All results from a given calculation for HClO3 (Chloric Acid)

using model chemistry: CCSD(T)=FULL/TZVP

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for HClO₃ (Chloric Acid)