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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3997	3893	267.57
2	A'	1375	1339	240.36
3	A'	884	861	211.16
4	A'	708	689	523.74
5	A'	442	431	139.09
6	A'	272	265	186.48
7	A"	1553	1513	602.02
8	A"	422	411	282.53
9	A"	201	196	19.79

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.293	0.111	0.000
O2	-0.167	-1.475	0.000
H3	-0.959	-1.980	0.000
O4	-0.167	0.743	1.151
O5	-0.167	0.743	-1.151

	Cl1	O2	H3	O4	O5
Cl1		1.6517	2.4377	1.3909	1.3909
O2	1.6517		0.9394	2.4987	2.4987
H3	2.4377	0.9394		3.0606	3.0606
O4	1.3909	2.4987	3.0606		2.3010
O5	1.3909	2.4987	3.0606	2.3010

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	31.511		O2	Cl1	O3	14.734
O2	Cl1	O4	110.125		O3	Cl1	O4	102.695

	hartrees
Energy at 0K
Energy at 298.15K	-0.172634
HF Energy	-0.172634
Nuclear repulsion energy	112.159873

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

using model chemistry: PM3

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3998	3894	267.55
2	A	1554	1513	602.19
3	A	1375	1339	240.43
4	A	883	860	212.20
5	A	707	689	523.45
6	A	442	431	138.64
7	A	421	410	281.70
8	A	271	264	186.59
9	A	199	194	20.73

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.137	-0.000	-0.282
O2	1.484	-0.001	0.037
H3	2.057	0.001	0.781
O4	-0.725	1.151	0.232
O5	-0.726	-1.150	0.232

	Cl1	O2	H3	O4	O5
Cl1		1.6517	2.4379	1.3908	1.3908
O2	1.6517		0.9394	2.4986	2.4987
H3	2.4379	0.9394		3.0600	3.0615
O4	1.3908	2.4986	3.0600		2.3012
O5	1.3908	2.4987	3.0615	2.3012

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

using model chemistry: PM3

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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