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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	-61.848867
Energy at 298.15K	-61.849488
HF Energy	-61.848867
Nuclear repulsion energy	60.394425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3891	3551	146.99
2	A'	1405	1282	26.08
3	A'	769	701	2.70
4	A'	230	210	28.83
5	A'	161	146	12.72
6	A'	109	99	3.03
7	A"	262	239	129.66
8	A"	245	224	87.84
9	A"	52	47	79.04

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.370	0.371	0.000
O2	1.297	0.917	0.000
H3	1.835	0.115	0.000
O4	-0.370	-0.859	1.632
O5	-0.370	-0.859	-1.632

	Cl1	O2	H3	O4	O5
Cl1		1.7543	2.2199	2.0433	2.0433
O2	1.7543		0.9656	2.9320	2.9320
H3	2.2199	0.9656		2.9110	2.9110
O4	2.0433	2.9320	2.9110		3.2633
O5	2.0433	2.9320	2.9110	3.2633

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

using model chemistry: HF/CEP-121G

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)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3891	3551	147.03	65.51	0.19	0.32
2	A	1405	1282	26.07	3.56	0.75	0.86
3	A	769	702	2.69	63.20	0.29	0.45
4	A	262	239	132.34	3.24	0.75	0.86
5	A	245	223	84.29	7.64	0.75	0.86
6	A	230	210	28.81	2.61	0.57	0.72
7	A	161	147	12.83	6.50	0.73	0.84
8	A	109	99	3.06	5.33	0.72	0.84
9	A	51	47	79.79	7.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.001	0.005	-0.524
O2	-0.026	-1.566	0.254
H3	-0.043	-1.388	1.203
O4	1.647	0.842	0.356
O5	-1.617	0.887	0.353

	Cl1	O2	H3	O4	O5
Cl1		1.7541	2.2198	2.0451	2.0414
O2	1.7541		0.9656	2.9340	2.9259
H3	2.2198	0.9656		2.9232	2.8943
O4	2.0451	2.9340	2.9232		3.2644
O5	2.0414	2.9259	2.8943	3.2644

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	43.201		O2	Cl1	O3	24.753
O2	Cl1	O4	100.802		O3	Cl1	O4	86.025

Number	Element	Mulliken
1	Cl	0.591
2	O	-0.538
3	H	0.432
4	O	-0.242
5	O	-0.242

	x	y	z	Total
	1.511	0.419	0.000	1.568
CHELPG
AIM
ESP

	x	y	z
x	4.328	1.037	0.000
y	1.037	3.662	0.000
z	0.000	0.000	4.875

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

using model chemistry: HF/CEP-121G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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