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	hartrees
Energy at 0K	-624.999413
Energy at 298.15K	-625.003053
HF Energy	-624.999413
Nuclear repulsion energy	190.132385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3606	3460	70.19
2	A'	1242	1192	147.36
3	A'	1117	1072	17.92
4	A'	745	714	138.11
5	A'	460	441	35.47
6	A'	424	407	136.95
7	A'	297	285	16.74
8	A"	3604	3457	23.37
9	A"	1096	1051	61.97
10	A"	743	713	327.47
11	A"	422	405	63.75
12	A"	145	139	21.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.300	0.345	0.000
O2	-1.039	0.978	0.000
O3	0.300	-0.718	1.284
O4	0.300	-0.718	-1.284
H5	-0.638	-0.927	1.488
H6	-0.638	-0.927	-1.488

	S1	O2	O3	O4	H5	H6
S1		1.4805	1.6664	1.6664	2.1706	2.1706
O2	1.4805		2.5127	2.5127	2.4500	2.4500
O3	1.6664	2.5127		2.5674	0.9826	2.9332
O4	1.6664	2.5127	2.5674		2.9332	0.9826
H5	2.1706	2.4500	0.9826	2.9332		2.9751
H6	2.1706	2.4500	2.9332	0.9826	2.9751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	107.214	S1	O4	H6	107.214
O2	S1	O3	105.817	O2	S1	O4	105.817
O3	S1	O4	100.768

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

using model chemistry: TPSSh/6-31G*

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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Number	Element	Mulliken
1	S	1.031
2	O	-0.576
3	O	-0.644
4	O	-0.644
5	H	0.416
6	H	0.416

	x	y	z	Total
	-1.104	-1.320	0.000	1.721
CHELPG
AIM
ESP

	x	y	z
x	3.834	-0.333	0.000
y	-0.333	3.855	0.000
z	0.000	0.000	4.388

<r²>	80.974
(<r²>)^1/2	8.999

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

using model chemistry: TPSSh/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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