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	hartrees
Energy at 0K	-621.912278
Energy at 298.15K	-621.916037
HF Energy	-621.912278
Nuclear repulsion energy	189.683333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3358	3243	13.51
2	A'	1225	1183	122.95
3	A'	1100	1062	4.80
4	A'	745	719	131.73
5	A'	500	483	97.96
6	A'	419	404	104.27
7	A'	281	271	19.53
8	A"	3356	3241	5.77
9	A"	1064	1028	43.44
10	A"	760	734	326.05
11	A"	454	438	90.32
12	A"	191	185	10.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.301	0.344	0.000
O2	-1.043	0.974	0.000
O3	0.301	-0.707	1.288
O4	0.301	-0.707	-1.288
H5	-0.642	-0.992	1.506
H6	-0.642	-0.992	-1.506

	S1	O2	O3	O4	H5	H6
S1		1.4841	1.6626	1.6626	2.2232	2.2232
O2	1.4841		2.5083	2.5083	2.5090	2.5090
O3	1.6626	2.5083		2.5768	1.0089	2.9632
O4	1.6626	2.5083	2.5768		2.9632	1.0089
H5	2.2232	2.5090	1.0089	2.9632		3.0126
H6	2.2232	2.5090	2.9632	1.0089	3.0126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	110.236	S1	O4	H6	110.236
O2	S1	O3	105.571	O2	S1	O4	105.571
O3	S1	O4	101.597

All results from a given calculation for H₂SO₃ (Sulfurous acid)

using model chemistry: TPSSh/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

	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	S	0.984
2	O	-0.524
3	O	-0.583
4	O	-0.583
5	H	0.353
6	H	0.353

	x	y	z	Total
	-1.402	-1.523	0.000	2.070
CHELPG
AIM
ESP

	x	y	z
x	3.342	-0.139	0.000
y	-0.139	3.307	0.000
z	0.000	0.000	3.845

<r²>	81.138
(<r²>)^1/2	9.008

All results from a given calculation for H2SO3 (Sulfurous acid)

using model chemistry: TPSSh/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

All results from a given calculation for H₂SO₃ (Sulfurous acid)