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	hartrees
Energy at 0K	-625.036613
Energy at 298.15K	-625.040261
HF Energy	-625.036613
Nuclear repulsion energy	188.547849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3615	3515	79.53
2	A'	1206	1173	120.69
3	A'	1082	1052	23.83
4	A'	727	707	123.73
5	A'	447	435	27.02
6	A'	408	397	128.29
7	A'	300	292	10.97
8	A"	3612	3513	24.95
9	A"	1067	1037	45.74
10	A"	725	705	302.05
11	A"	415	403	55.31
12	A"	166	162	14.90

Atom	x (Å)	y (Å)	z (Å)
S1	0.304	0.351	0.000
O2	-1.056	0.973	0.000
O3	0.304	-0.726	1.296
O4	0.304	-0.726	-1.296
H5	-0.646	-0.896	1.481
H6	-0.646	-0.896	-1.481

	S1	O2	O3	O4	H5	H6
S1		1.4958	1.6844	1.6844	2.1564	2.1564
O2	1.4958		2.5327	2.5327	2.4196	2.4196
O3	1.6844	2.5327		2.5912	0.9829	2.9396
O4	1.6844	2.5327	2.5912		2.9396	0.9829
H5	2.1564	2.4196	0.9829	2.9396		2.9621
H6	2.1564	2.4196	2.9396	0.9829	2.9621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	104.817	S1	O4	H6	104.817
O2	S1	O3	105.421	O2	S1	O4	105.421
O3	S1	O4	100.558

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

using model chemistry: TPSSh/cc-pVDZ

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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Number	Element	Mulliken
1	S	0.836
2	O	-0.484
3	O	-0.349
4	O	-0.349
5	H	0.173
6	H	0.173

	x	y	z	Total
	-0.810	-1.064	0.000	1.337
CHELPG
AIM
ESP

	x	y	z
x	3.766	-0.374	0.000
y	-0.374	3.810	0.000
z	0.000	0.000	4.475

<r²>	81.908
(<r²>)^1/2	9.050

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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