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	hartrees
Energy at 0K	-622.185827
Energy at 298.15K	-622.188080
HF Energy	-622.185827
Nuclear repulsion energy	188.828264

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'	1249	1135	0.00	34.06	0.04	0.08
2	A₂"	590	536	67.19	0.00	0.00	0.00
3	E'	1580	1435	307.71	3.98	0.75	0.86
3	E'	1580	1435	307.71	3.98	0.75	0.86
4	E'	607	552	43.02	1.76	0.75	0.86
4	E'	607	552	43.02	1.76	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.387
O3	1.201	-0.693
O4	-1.201	-0.693

	S1	O2	O3	O4
S1		1.3868	1.3868	1.3868
O2	1.3868		2.4020	2.4020
O3	1.3868	2.4020		2.4020
O4	1.3868	2.4020	2.4020

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: HF/aug-cc-pVQZ

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	2.301
2	O	-0.767
3	O	-0.767
4	O	-0.767

<r²>	64.445
(<r²>)^1/2	8.028

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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