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	hartrees
Energy at 0K	-548.669178
Energy at 298.15K	-548.670075
HF Energy	-548.669178
Nuclear repulsion energy	105.607454

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	1128	1087	32.86	28.65	0.20	0.33
2	A₁	500	482	36.67	4.87	0.74	0.85
3	B₂	1294	1247	215.87	13.00	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.381
O2	1.258	-0.381
O3	-1.258	-0.381

	S1	O2	O3
S1		1.4702	1.4702
O2	1.4702		2.5155
O3	1.4702	2.5155

Number	Element	Mulliken
1	S	0.651
2	O	-0.326
3	O	-0.326

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

using model chemistry: B3LYPultrafine/TZVP

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>	44.846
(<r²>)^1/2	6.697

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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