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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	-685.144202
Energy at 298.15K	-685.146816
HF Energy	-684.376743
Nuclear repulsion energy	194.165459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3813	3642	79.41
2	A'	1216	1161	63.08
3	A'	1062	1014	75.65
4	A'	634	606	235.40
5	A'	537	513	41.15
6	A'	419	400	7.75
7	A"	1205	1151	303.81
8	A"	433	414	65.44
9	A"	82	78	54.32

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.360	0.126	0.000
O2	-0.206	-1.483	0.000
H3	-1.169	-1.381	0.000
O4	-0.206	0.694	1.212
O5	-0.206	0.694	-1.212

	Cl1	O2	H3	O4	O5
Cl1		1.7060	2.1466	1.4539	1.4539
O2	1.7060		0.9682	2.4924	2.4924
H3	2.1466	0.9682		2.5889	2.5889
O4	1.4539	2.4924	2.5889		2.4246
O5	1.4539	2.4924	2.5889	2.4246

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

using model chemistry: CCD/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	3813	3642	79.40
2	A	1216	1161	63.22
3	A	1206	1152	303.95
4	A	1063	1015	75.57
5	A	634	606	235.43
6	A	537	513	41.18
7	A	434	414	65.39
8	A	419	400	7.80
9	A	79	76	54.32

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.164	0.000	-0.344
O2	1.497	-0.002	0.043
H3	1.500	-0.000	1.012
O4	-0.666	1.213	0.281
O5	-0.669	-1.211	0.281

	Cl1	O2	H3	O4	O5
Cl1		1.7059	2.1464	1.4537	1.4537
O2	1.7059		0.9682	2.4920	2.4922
H3	2.1464	0.9682		2.5875	2.5893
O4	1.4537	2.4920	2.5875		2.4243
O5	1.4537	2.4922	2.5893	2.4243

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.496		O2	Cl1	O3	26.036
O2	Cl1	O4	103.856		O3	Cl1	O4	89.821

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.493		O2	Cl1	O3	26.040
O2	Cl1	O4	103.845		O3	Cl1	O4	89.770

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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