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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	-624.264453
Energy at 298.15K
HF Energy	-623.357607
Nuclear repulsion energy	193.854582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3804	3619	123.10
2	A'	1328	1264	115.37
3	A'	1130	1075	139.70
4	A'	784	746	111.90
5	A'	518	492	7.47
6	A'	379	361	0.77
7	A'	258	245	108.17
8	A"	3799	3615	86.99
9	A"	1082	1029	140.89
10	A"	758	721	263.91
11	A"	443	422	1.37
12	A"	195i	185i	70.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.214	0.376	0.000
O2	-1.141	0.869	0.000
O3	0.214	-0.710	1.242
O4	0.214	-0.710	-1.242
H5	1.134	-0.804	1.524
H6	1.134	-0.804	-1.524

	S1	O2	O3	O4	H5	H6
S1		1.4427	1.6494	1.6494	2.1360	2.1360
O2	1.4427		2.4235	2.4235	3.2098	3.2098
O3	1.6494	2.4235		2.4832	0.9669	2.9165
O4	1.6494	2.4235	2.4832		2.9165	0.9669
H5	2.1360	3.2098	0.9669	2.9165		3.0489
H6	2.1360	3.2098	2.9165	0.9669	3.0489

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

using model chemistry: MP2/Def2TZVPP

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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	106.526	S1	O4	H6	106.526
O2	S1	O3	103.012	O2	S1	O4	103.012
O3	S1	O4	97.661

	hartrees
Energy at 0K	-624.273141
Energy at 298.15K	-624.276939
HF Energy	-623.369084
Nuclear repulsion energy	194.590660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3547	119.02
2	A'	1279	1217	174.53
3	A'	1124	1070	9.59
4	A'	802	763	161.64
5	A'	501	477	16.45
6	A'	431	410	115.06
7	A'	343	327	35.17
8	A"	3726	3545	47.21
9	A"	1089	1036	58.13
10	A"	793	754	369.46
11	A"	460	438	53.86
12	A"	124	118	20.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.289	0.317	0.000
O2	-0.998	0.993	0.000
O3	0.289	-0.702	1.251
O4	0.289	-0.702	-1.251
H5	-0.633	-0.891	1.480
H6	-0.633	-0.891	-1.480

	S1	O2	O3	O4	H5	H6
S1		1.4536	1.6137	1.6137	2.1218	2.1218
O2	1.4536		2.4686	2.4686	2.4233	2.4233
O3	1.6137	2.4686		2.5013	0.9690	2.8882
O4	1.6137	2.4686	2.5013		2.8882	0.9690
H5	2.1218	2.4233	0.9690	2.8882		2.9597
H6	2.1218	2.4233	2.8882	0.9690	2.9597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	107.853	S1	O4	H6	107.853
O2	S1	O3	107.070	O2	S1	O4	107.070
O3	S1	O4	101.611

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

using model chemistry: MP2/Def2TZVPP

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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