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	hartrees
Energy at 0K	-623.743774
Energy at 298.15K
HF Energy	-623.383938
Nuclear repulsion energy	183.256264

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'	1054	1054	0.00	38.10	0.08	0.15
2	A₂"	492	492	32.00	0.00	0.75	0.86
3	E'	1395	1395	179.15	7.65	0.75	0.86
3	E'	1395	1395	179.14	7.65	0.75	0.86
4	E'	522	522	27.48	4.20	0.75	0.86
4	E'	522	522	27.48	4.20	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.429
O3	1.238	-0.714
O4	-1.238	-0.714

	S1	O2	O3	O4
S1		1.4290	1.4289	1.4289
O2	1.4290		2.4750	2.4750
O3	1.4289	2.4750		2.4750
O4	1.4289	2.4750	2.4750

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: B2PLYP=FULLultrafine/Def2TZVPP

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

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