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	hartrees
Energy at 0K	-548.597966
Energy at 298.15K	-548.598888
HF Energy	-548.597966
Nuclear repulsion energy	107.221566

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	1176	1135	28.55	33.58	0.14	0.24
2	A₁	519	501	28.38	2.14	0.60	0.75
3	B₂	1361	1314	213.49	8.99	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.372
O2	1.242	-0.372
O3	-1.242	-0.372

	S1	O2	O3
S1		1.4475	1.4475
O2	1.4475		2.4841
O3	1.4475	2.4841

Number	Element	Mulliken
1	S	1.105
2	O	-0.553
3	O	-0.553

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

using model chemistry: B3PW91/aug-cc-pVTZ

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>	43.781
(<r²>)^1/2	6.617

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

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

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