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	hartrees
Energy at 0K	-624.908717
Energy at 298.15K	-624.912494
HF Energy	-624.587312
Nuclear repulsion energy	192.938530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3556	102.78
2	A'	1248	1192	148.55
3	A'	1113	1063	15.25
4	A'	769	735	144.17
5	A'	482	460	14.46
6	A'	420	402	122.99
7	A'	335	320	25.74
8	A"	3718	3553	42.84
9	A"	1092	1044	56.38
10	A"	764	730	341.04
11	A"	444	425	50.32
12	A"	148	142	20.30

Atom	x (Å)	y (Å)	z (Å)
S1	0.298	0.341	0.000
O2	-1.034	0.954	0.000
O3	0.298	-0.707	1.260
O4	0.298	-0.707	-1.260
H5	-0.630	-0.896	1.475
H6	-0.630	-0.896	-1.475

	S1	O2	O3	O4	H5	H6
S1		1.4660	1.6391	1.6391	2.1374	2.1374
O2	1.4660		2.4741	2.4741	2.4010	2.4010
O3	1.6391	2.4741		2.5205	0.9708	2.8949
O4	1.6391	2.4741	2.5205		2.8949	0.9708
H5	2.1374	2.4010	0.9708	2.8949		2.9510
H6	2.1374	2.4010	2.8949	0.9708	2.9510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	107.168	S1	O4	H6	107.168
O2	S1	O3	105.509	O2	S1	O4	105.509
O3	S1	O4	100.502

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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