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	hartrees
Energy at 0K	-623.900369
Energy at 298.15K	-623.904150
HF Energy	-623.181463
Nuclear repulsion energy	190.797784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3623	3486
2	A'	1272	1224
3	A'	1141	1098
4	A'	776	747
5	A'	476	458
6	A'	451	434
7	A'	312	300
8	A"	3621	3484
9	A"	1146	1103
10	A"	780	751
11	A"	438	421
12	A"	167	160

Atom	x (Å)	y (Å)	z (Å)
S1	0.301	0.349	0.000
O2	-1.046	0.962	0.000
O3	0.301	-0.714	1.274
O4	0.301	-0.714	-1.274
H5	-0.638	-0.929	1.472
H6	-0.638	-0.929	-1.472

	S1	O2	O3	O4	H5	H6
S1		1.4803	1.6593	1.6593	2.1639	2.1639
O2	1.4803		2.4993	2.4993	2.4302	2.4302
O3	1.6593	2.4993		2.5477	0.9840	2.9100
O4	1.6593	2.4993	2.5477		2.9100	0.9840
H5	2.1639	2.4302	0.9840	2.9100		2.9438
H6	2.1639	2.4302	2.9100	0.9840	2.9438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	107.116	S1	O4	H6	107.116
O2	S1	O3	105.368	O2	S1	O4	105.368
O3	S1	O4	100.292

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

using model chemistry: CCSD(T)/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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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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All results from a given calculation for H2SO3 (Sulfurous acid)

using model chemistry: CCSD(T)/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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