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	hartrees
Energy at 0K	-686.172619
Energy at 298.15K	-686.175096
HF Energy	-686.172619
Nuclear repulsion energy	192.022615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3579	100.18
2	A'	1176	1125	63.14
3	A'	1031	987	61.26
4	A'	621	594	216.85
5	A'	510	488	29.65
6	A'	395	377	7.44
7	A"	1176	1125	262.77
8	A"	383	366	48.16
9	A"	72	69	71.31

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.357	0.124	0.000
O2	-0.204	-1.502	0.000
H3	-1.176	-1.433	0.000
O4	-0.204	0.708	1.227
O5	-0.204	0.708	-1.227

	Cl1	O2	H3	O4	O5
Cl1		1.7203	2.1851	1.4696	1.4696
O2	1.7203		0.9748	2.5281	2.5281
H3	2.1851	0.9748		2.6525	2.6525
O4	1.4696	2.5281	2.6525		2.4533
O5	1.4696	2.5281	2.6525	2.4533

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	34.239		O2	Cl1	O3	25.534
O2	Cl1	O4	104.567		O3	Cl1	O4	90.902

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

using model chemistry: B1B95/6-31+G**

States and conformations

	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	1.084
2	O	-0.496
3	H	0.373
4	O	-0.481
5	O	-0.481

	x	y	z	Total
	0.156	-1.130	0.000	1.141
CHELPG
AIM
ESP

	x	y	z
x	3.281	0.199	0.000
y	0.199	5.261	0.000
z	0.000	0.000	5.122

<r²>	75.734
(<r²>)^1/2	8.703

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

using model chemistry: B1B95/6-31+G**

States and conformations

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