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	hartrees
Energy at 0K	-686.271623
Energy at 298.15K
HF Energy	-686.271623
Nuclear repulsion energy	188.893842

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'	3617	3617	64.79	75.02	0.15	0.27
2	A'	1113	1113	56.91	8.96	0.04	0.07
3	A'	979	979	46.61	22.91	0.14	0.24
4	A'	541	541	134.27	5.32	0.28	0.43
5	A'	483	483	54.03	10.31	0.17	0.29
6	A'	356	356	2.35	15.82	0.31	0.47
7	A"	1113	1113	211.56	8.88	0.75	0.86
8	A"	333	333	15.80	2.58	0.75	0.86
9	A"	97i	97i	62.92	2.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.358	0.139	0.000
O2	-0.205	-1.568	0.000
H3	-1.177	-1.468	0.000
O4	-0.205	0.728	1.230
O5	-0.205	0.728	-1.230

	Cl1	O2	H3	O4	O5
Cl1		1.7967	2.2221	1.4755	1.4755
O2	1.7967		0.9773	2.6044	2.6044
H3	2.2221	0.9773		2.6984	2.6984
O4	1.4755	2.6044	2.6984		2.4604
O5	1.4755	2.6044	2.6984	2.4604

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	H5	33.168		O2	Cl1	O3	25.437
O2	Cl1	O4	105.061		O3	Cl1	O4	91.454

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

using model chemistry: B97D3/daug-cc-pVTZ

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	2.581
2	O	-0.738
3	H	0.272
4	O	-1.057
5	O	-1.057

	x	y	z	Total
	0.089	-0.657	0.000	0.663
CHELPG
AIM
ESP

	x	y	z
x	4.113	0.295	0.000
y	0.295	6.343	0.000
z	0.000	0.000	5.831

<r²>	77.867
(<r²>)^1/2	8.824

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

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

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