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	hartrees
Energy at 0K	-548.472463
Energy at 298.15K	-548.473196
HF Energy	-548.472463
Nuclear repulsion energy	97.690036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	903	868	5.15
2	A₁	404	388	31.47
3	B₂	994	956	72.46

Atom	y (Å)	z (Å)
S1	0.000	0.438
O2	1.332	-0.438
O3	-1.332	-0.438

	S1	O2	O3
S1		1.5942	1.5942
O2	1.5942		2.6636
O3	1.5942	2.6636

Number	Element	Mulliken
1	S	1.028
2	O	-0.514
3	O	-0.514

All results from a given calculation for SO₂ (Sulfur dioxide)

using model chemistry: B3LYPultrafine/SDD

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	50.062
(<r²>)^1/2	7.075

All results from a given calculation for SO2 (Sulfur dioxide)

using model chemistry: B3LYPultrafine/SDD

States and conformations

All results from a given calculation for SO₂ (Sulfur dioxide)