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	hartrees
Energy at 0K	-620.321360
Energy at 298.15K	-620.322991
HF Energy	-620.321360
Nuclear repulsion energy	167.932089

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'	886	886	0.00	23.20	0.11	0.20
2	A₂"	322	322	31.84	0.00	0.75	0.86
3	E'	1164	1164	51.98	3.97	0.75	0.86
3	E'	1164	1164	51.92	3.97	0.75	0.86
4	E'	417	417	20.36	5.56	0.75	0.86
4	E'	417	417	20.36	5.56	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.559
O3	1.350	-0.780
O4	-1.350	-0.780

	S1	O2	O3	O4
S1		1.5593	1.5593	1.5593
O2	1.5593		2.7009	2.7009
O3	1.5593	2.7009		2.7009
O4	1.5593	2.7009	2.7009

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	O3	120.000		O2	S1	O4	120.000
O3	S1	O4	120.000

All results from a given calculation for SO₃ (Sulfur trioxide)

using model chemistry: wB97X-D/3-21G

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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Number	Element	Mulliken
1	S	1.477
2	O	-0.492
3	O	-0.492
4	O	-0.492

<r²>	77.296
(<r²>)^1/2	8.792

All results from a given calculation for SO3 (Sulfur trioxide)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for SO₃ (Sulfur trioxide)