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	hartrees
Energy at 0K	-548.448490
Energy at 298.15K
HF Energy	-548.448490
Nuclear repulsion energy	108.302660

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	1211	1211	32.22	32.88	0.14	0.25
2	A₁	528	528	29.88	1.97	0.60	0.75
3	B₂	1415	1415	224.98	8.71	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.363
O2	1.234	-0.363
O3	-1.234	-0.363

	S1	O2	O3
S1		1.4322	1.4322
O2	1.4322		2.4689
O3	1.4322	2.4689

Number	Element	Mulliken
1	S	1.084
2	O	-0.542
3	O	-0.542

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

using model chemistry: HSEh1PBE/aug-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>	43.259
(<r²>)^1/2	6.577

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

using model chemistry: HSEh1PBE/aug-cc-pCVTZ

States and conformations

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