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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	-685.090402
Energy at 298.15K
HF Energy	-684.303266
Nuclear repulsion energy	188.018997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3711	3561
2	A'	1163	1116
3	A'	957	918
4	A'	550	528
5	A'	467	448
6	A'	356	342
7	A"	1097	1053
8	A"	353	339
9	A"	55i	53i

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.364	0.136	0.000
O2	-0.209	-1.548	0.000
H3	-1.183	-1.452	0.000
O4	-0.209	0.721	1.250
O5	-0.209	0.721	-1.250

	Cl1	O2	H3	O4	O5
Cl1		1.7779	2.2170	1.4945	1.4945
O2	1.7779		0.9795	2.5899	2.5899
H3	2.2170	0.9795		2.6896	2.6896
O4	1.4945	2.5899	2.6896		2.5008
O5	1.4945	2.5899	2.6896	2.5008

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

using model chemistry: CCSD(T)/6-31+G**

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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	hartrees
Energy at 0K	-685.090306
Energy at 298.15K
HF Energy	-684.302989
Nuclear repulsion energy	188.109558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3713	3563
2	A	1165	1118
3	A	1097	1053
4	A	951	913
5	A	559	536
6	A	473	454
7	A	358	344
8	A	313	300
9	A	112	107

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.180	0.020	-0.346
O2	1.487	-0.450	0.061
H3	1.675	0.108	0.844
O4	-0.275	1.393	0.251
O5	-1.039	-0.998	0.319

	Cl1	O2	H3	O4	O5
Cl1		1.7795	2.2059	1.5002	1.4887
O2	1.7795		0.9793	2.5566	2.5979
H3	2.2059	0.9793		2.4094	2.9773
O4	1.5002	2.5566	2.4094		2.5107
O5	1.4887	2.5979	2.9773	2.5107

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	33.995		O2	Cl1	O3	25.478
O2	Cl1	O4	104.312		O3	Cl1	O4	90.741

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	33.618		O2	Cl1	O3	25.710
O2	Cl1	O4	102.097		O3	Cl1	O4	78.570

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

using model chemistry: CCSD(T)/6-31+G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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