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	hartrees
Energy at 0K	-625.026038
Energy at 298.15K	-625.029550
HF Energy	-625.026038
Nuclear repulsion energy	189.896907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3675	3537	86.62
2	A'	1209	1164	178.01
3	A'	1081	1040	18.30
4	A'	726	699	149.29
5	A'	452	435	16.95
6	A'	397	382	154.44
7	A'	306	295	19.33
8	A"	3672	3534	38.85
9	A"	1050	1010	47.88
10	A"	720	693	373.74
11	A"	413	397	55.18
12	A"	95	92	27.15

Atom	x (Å)	y (Å)	z (Å)
S1	0.299	0.344	0.000
O2	-1.038	0.986	0.000
O3	0.299	-0.719	1.284
O4	0.299	-0.719	-1.284
H5	-0.629	-0.935	1.510
H6	-0.629	-0.935	-1.510

	S1	O2	O3	O4	H5	H6
S1		1.4830	1.6668	1.6668	2.1852	2.1852
O2	1.4830		2.5184	2.5184	2.4771	2.4771
O3	1.6668	2.5184		2.5676	0.9787	2.9514
O4	1.6668	2.5184	2.5676		2.9514	0.9787
H5	2.1852	2.4771	0.9787	2.9514		3.0194
H6	2.1852	2.4771	2.9514	0.9787	3.0194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	108.563	S1	O4	H6	108.563
O2	S1	O3	106.028	O2	S1	O4	106.028
O3	S1	O4	100.746

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

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

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	1.013
2	O	-0.643
3	O	-0.561
4	O	-0.561
5	H	0.376
6	H	0.376

	x	y	z	Total
	-0.955	-1.296	0.000	1.610
CHELPG
AIM
ESP

	x	y	z
x	4.682	-0.551	0.000
y	-0.551	4.880	0.000
z	0.000	0.000	5.357

<r²>	81.816
(<r²>)^1/2	9.045

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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