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

	hartrees
Energy at 0K	-685.057060
Energy at 298.15K
HF Energy	-684.289861
Nuclear repulsion energy	188.619924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3591	3445
2	A'	1211	1162
3	A'	964	925
4	A'	581	557
5	A'	474	455
6	A'	367	352
7	A"	1120	1075
8	A"	366	351
9	A"	85i	82i

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.363	0.134	0.000
O2	-0.207	-1.532	0.000
H3	-1.190	-1.430	0.000
O4	-0.207	0.713	1.253
O5	-0.207	0.713	-1.253

	Cl1	O2	H3	O4	O5
Cl1		1.7613	2.2043	1.4936	1.4936
O2	1.7613		0.9877	2.5715	2.5715
H3	2.2043	0.9877		2.6703	2.6703
O4	1.4936	2.5715	2.6703		2.5060
O5	1.4936	2.5715	2.6703	2.5060

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

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

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	-685.057108
Energy at 298.15K
HF Energy	-684.289845
Nuclear repulsion energy	188.701234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3592	3445
2	A	1215	1165
3	A	1118	1073
4	A	961	922
5	A	584	561
6	A	477	457
7	A	376	361
8	A	340	326
9	A	95	91

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.174	0.020	-0.346
O2	1.491	-0.395	0.050
H3	1.596	-0.008	0.952
O4	-0.315	1.383	0.256
O5	-1.005	-1.029	0.310

	Cl1	O2	H3	O4	O5
Cl1		1.7610	2.1957	1.4975	1.4901
O2	1.7610		0.9876	2.5431	2.5879
H3	2.1957	0.9876		2.4642	2.8673
O4	1.4975	2.5431	2.4642		2.5097
O5	1.4901	2.5879	2.8673	2.5097

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.290		O2	Cl1	O3	25.891
O2	Cl1	O4	104.078		O3	Cl1	O4	90.356

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	33.757		O2	Cl1	O3	26.063
O2	Cl1	O4	102.299		O3	Cl1	O4	81.332

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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