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	hartrees
Energy at 0K	-548.405794
Energy at 298.15K
HF Energy	-548.405794
Nuclear repulsion energy	106.482588

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	1113	1113	23.93	32.73	0.14	0.25
2	A₁	490	490	22.64	2.34	0.59	0.74
3	B₂	1309	1309	187.01	9.09	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.368
O2	1.257	-0.368
O3	-1.257	-0.368

	S1	O2	O3
S1		1.4565	1.4565
O2	1.4565		2.5138
O3	1.4565	2.5138

Number	Element	Mulliken
1	S	1.020
2	O	-0.510
3	O	-0.510

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

using model chemistry: PBEPBEultrafine/aug-cc-pV(T+d)Z

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>	44.359
(<r²>)^1/2	6.660

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

using model chemistry: PBEPBEultrafine/aug-cc-pV(T+d)Z

States and conformations

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