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	hartrees
Energy at 0K	-548.611104
Energy at 298.15K
HF Energy	-548.611104
Nuclear repulsion energy	108.069704

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	1199	1199	30.99	23.44	0.18	0.31
2	A₁	526	526	30.05	3.18	0.68	0.81
3	B₂	1405	1405	201.79	9.03	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.363
O2	1.238	-0.363
O3	-1.238	-0.363

	S1	O2	O3
S1		1.4352	1.4352
O2	1.4352		2.4753
O3	1.4352	2.4753

Number	Element	Mulliken
1	S	0.631
2	O	-0.315
3	O	-0.315

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

using model chemistry: B3PW91/cc-pCVTZ

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>	43.172
(<r²>)^1/2	6.571

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

using model chemistry: B3PW91/cc-pCVTZ

States and conformations

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