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	hartrees
Energy at 0K	-548.323780
Energy at 298.15K	-548.324680
HF Energy	-548.323780
Nuclear repulsion energy	105.366375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1143	1143	25.85	35.02	0.13	0.23
2	A₁	498	498	27.64	2.27	0.60	0.75
3	B₂	1306	1306	213.54	8.77	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.382
O2	1.260	-0.382
O3	-1.260	-0.382

	S1	O2	O3
S1		1.4736	1.4736
O2	1.4736		2.5209
O3	1.4736	2.5209

Number	Element	Mulliken
1	S	1.198
2	O	-0.599
3	O	-0.599

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

using model chemistry: PBE1PBE/daug-cc-pVDZ

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>	44.915
(<r²>)^1/2	6.702

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

using model chemistry: PBE1PBE/daug-cc-pVDZ

States and conformations

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