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	hartrees
Energy at 0K	-548.610815
Energy at 298.15K	-548.611744
HF Energy	-548.610815
Nuclear repulsion energy	108.107471

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	1196	1196	31.87	26.54	0.18	0.31
2	A₁	526	526	29.58	3.45	0.71	0.83
3	B₂	1398	1398	215.85	10.51	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.364
O2	1.236	-0.364
O3	-1.236	-0.364

	S1	O2	O3
S1		1.4349	1.4349
O2	1.4349		2.4722
O3	1.4349	2.4722

Number	Element	Mulliken
1	S	0.641
2	O	-0.320
3	O	-0.320

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

using model chemistry: B3PW91/Def2TZVPP

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>	43.195
(<r²>)^1/2	6.572

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

using model chemistry: B3PW91/Def2TZVPP

States and conformations

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