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State	Conformation	minimum conformation	conformer description	state description
1	1	no	CS	¹A^'
1	2	yes	CS	¹A^'

	hartrees
Energy at 0K	-624.794988
Energy at 298.15K	-624.789259
Nuclear repulsion energy

	hartrees
Energy at 0K	-624.794988
Energy at 298.15K	-624.799403
HF Energy	-623.188275
Nuclear repulsion energy	196.436763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3998	3767	200.54
2	A'	1374	1295	225.08
3	A'	1235	1164	39.45
4	A'	911	858	186.11
5	A'	542	511	45.43
6	A'	501	472	172.03
7	A'	372	351	43.66
8	A"	3993	3762	59.50
9	A"	1232	1161	98.36
10	A"	906	854	381.52
11	A"	497	468	97.22
12	A"	209	197	36.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.299	0.346	0.000
O2	-1.038	0.967	0.000
O3	0.299	-0.714	1.270
O4	0.299	-0.714	-1.270
H5	-0.639	-0.928	1.472
H6	-0.639	-0.928	-1.472

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

using model chemistry: G3

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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	S1	O2	O3	O4	H5	H6
S1		1.4740	1.6542	1.6542	2.1614	2.1614
O2	1.4740		2.4950	2.4950	2.4326	2.4326
O3	1.6542	2.4950		2.5405	0.9837	2.9062
O4	1.6542	2.4950	2.5405		2.9062	0.9837
H5	2.1614	2.4326	0.9837	2.9062		2.9437
H6	2.1614	2.4326	2.9062	0.9837	2.9437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	110.002	S1	O4	H6	110.002
O2	S1	O3	105.126	O2	S1	O4	105.126
O3	S1	O4	100.156

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

using model chemistry: G3

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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