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	hartrees
Energy at 0K	-624.301192
Energy at 298.15K	-624.305020
HF Energy	-623.349671
Nuclear repulsion energy	193.574129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3739	3645
2	A'	1265	1233
3	A'	1131	1102
4	A'	795	775
5	A'	489	477
6	A'	428	417
7	A'	340	331
8	A"	3737	3643
9	A"	1116	1087
10	A"	794	774
11	A"	452	440
12	A"	149	145

Atom	x (Å)	y (Å)	z (Å)
S1	0.299	0.342	0.000
O2	-1.037	0.945	0.000
O3	0.299	-0.704	1.254
O4	0.299	-0.704	-1.254
H5	-0.633	-0.883	1.457
H6	-0.633	-0.883	-1.457

	S1	O2	O3	O4	H5	H6
S1		1.4660	1.6327	1.6327	2.1196	2.1196
O2	1.4660		2.4649	2.4649	2.3724	2.3724
O3	1.6327	2.4649		2.5076	0.9706	2.8724
O4	1.6327	2.4649	2.5076		2.8724	0.9706
H5	2.1196	2.3724	0.9706	2.8724		2.9144
H6	2.1196	2.3724	2.8724	0.9706	2.9144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	H5	106.211	S1	O4	H6	106.211
O2	S1	O3	105.276	O2	S1	O4	105.276
O3	S1	O4	100.343

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

using model chemistry: CCSD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

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