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	hartrees
Energy at 0K	-548.668626
Energy at 298.15K	-548.669556
HF Energy	-548.668626
Nuclear repulsion energy	107.590907

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	1197	1147	30.09	33.63	0.14	0.25
2	A₁	526	504	29.63	2.07	0.60	0.75
3	B₂	1384	1326	221.32	8.96	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.371
O2	1.238	-0.371
O3	-1.238	-0.371

	S1	O2	O3
S1		1.4426	1.4426
O2	1.4426		2.4753
O3	1.4426	2.4753

Number	Element	Mulliken
1	S	1.113
2	O	-0.557
3	O	-0.557

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

using model chemistry: mPW1PW91/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>	43.580
(<r²>)^1/2	6.602

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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