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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	-685.158581
Energy at 298.15K	-685.161064
HF Energy	-684.374558
Nuclear repulsion energy	192.547302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3787	3787	77.37
2	A'	1199	1199	46.39
3	A'	992	992	73.78
4	A'	620	620	198.47
5	A'	514	514	35.08
6	A'	402	402	9.50
7	A"	1138	1138	246.72
8	A"	416	416	59.34
9	A"	52	52	54.24

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.362	0.126	0.000
O2	-0.208	-1.496	0.000
H3	-1.171	-1.383	0.000
O4	-0.208	0.700	1.224
O5	-0.208	0.700	-1.224

	Cl1	O2	H3	O4	O5
Cl1		1.7197	2.1517	1.4670	1.4670
O2	1.7197		0.9696	2.5142	2.5142
H3	2.1517	0.9696		2.6010	2.6010
O4	1.4670	2.5142	2.6010		2.4472
O5	1.4670	2.5142	2.6010	2.4472

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

using model chemistry: CCSD/6-311G**

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3788	3788	77.36
2	A	1199	1199	46.41
3	A	1138	1138	246.68
4	A	992	992	73.76
5	A	619	619	198.39
6	A	514	514	35.10
7	A	415	415	59.30
8	A	402	402	9.48
9	A	51	51	54.30

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.165	-0.000	-0.347
O2	1.510	0.001	0.045
H3	1.501	-0.000	1.015
O4	-0.675	1.223	0.282
O5	-0.673	-1.224	0.282

	Cl1	O2	H3	O4	O5
Cl1		1.7199	2.1518	1.4670	1.4670
O2	1.7199		0.9696	2.5146	2.5144
H3	2.1518	0.9696		2.6019	2.6006
O4	1.4670	2.5146	2.6019		2.4470
O5	1.4670	2.5144	2.6006	2.4470

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.500		O2	Cl1	O3	26.080
O2	Cl1	O4	103.897		O3	Cl1	O4	89.851

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.496		O2	Cl1	O3	26.078
O2	Cl1	O4	103.907		O3	Cl1	O4	89.885

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

using model chemistry: CCSD/6-311G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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