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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	-624.362518
Energy at 298.15K	-624.356859
Nuclear repulsion energy

	hartrees
Energy at 0K	-624.362518
Energy at 298.15K	-624.366931
HF Energy	-623.171977
Nuclear repulsion energy	196.455924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4001	4001	182.01
2	A'	1359	1359	240.46
3	A'	1223	1223	43.83
4	A'	909	909	204.91
5	A'	545	545	43.80
6	A'	507	507	204.34
7	A'	373	373	47.34
8	A"	3996	3996	60.96
9	A"	1222	1222	94.55
10	A"	903	903	410.32
11	A"	498	498	107.05
12	A"	203	203	44.93

Atom	x (Å)	y (Å)	z (Å)
S1	0.295	0.347	0.000
O2	-1.034	0.912	0.000
O3	0.295	-0.686	1.229
O4	0.295	-0.686	-1.229
H5	-0.585	-0.939	1.489
H6	-0.585	-0.939	-1.489

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

using model chemistry: CBS-Q

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		1.4445	1.6060	1.6060	2.1562	2.1562
O2	1.4445		2.4153	2.4153	2.4184	2.4184
O3	1.6060	2.4153		2.4583	0.9525	2.8688
O4	1.6060	2.4153	2.4583		2.8688	0.9525
H5	2.1562	2.4184	0.9525	2.8688		2.9788
H6	2.1562	2.4184	2.8688	0.9525	2.9788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	112.341	S1	O4	H6	112.341
O2	S1	O3	104.582	O2	S1	O4	104.582
O3	S1	O4	99.875

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

using model chemistry: CBS-Q

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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