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	hartrees
Energy at 0K	-686.346879
Energy at 298.15K
HF Energy	-686.346879
Nuclear repulsion energy	197.419792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3579	99.52
2	A	1277	1222	241.49
3	A	1201	1150	100.92
4	A	1092	1045	41.53
5	A	674	645	220.64
6	A	561	537	30.07
7	A	446	427	7.94
8	A	395	378	14.66
9	A	136	130	83.11

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.161	0.017	-0.336
O2	1.404	-0.417	0.057
H3	1.586	0.082	0.869
O4	-0.276	1.327	0.241
O5	-0.984	-0.956	0.306

	Cl1	O2	H3	O4	O5
Cl1		1.6711	2.1231	1.4360	1.4268
O2	1.6711		0.9699	2.4280	2.4606
H3	2.1231	0.9699		2.3256	2.8277
O4	1.4360	2.4280	2.3256		2.3910
O5	1.4268	2.4606	2.8277	2.3910

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.082		O2	Cl1	O3	26.333
O2	Cl1	O4	102.522		O3	Cl1	O4	79.020

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

using model chemistry: B1B95/cc-pV(T+d)Z

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Cl	0.846
2	O	-0.318
3	H	0.221
4	O	-0.392
5	O	-0.357

	x	y	z	Total
	1.262	0.308	-0.325	1.339
CHELPG
AIM
ESP

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

using model chemistry: B1B95/cc-pV(T+d)Z

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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