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	hartrees
Energy at 0K	-623.438606
Energy at 298.15K	-623.440549
HF Energy	-623.191522
Nuclear repulsion energy	179.783555

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'	1000	1000	0.00	37.08	0.08	0.15
2	A₂"	453	453	31.28	0.00	0.75	0.86
3	E'	1348	1348	149.37	6.80	0.75	0.86
3	E'	1348	1348	149.36	6.80	0.75	0.86
4	E'	495	495	26.83	4.49	0.75	0.86
4	E'	495	495	26.83	4.49	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.457
O3	1.261	-0.728
O4	-1.261	-0.728

	S1	O2	O3	O4
S1		1.4566	1.4566	1.4566
O2	1.4566		2.5228	2.5228
O3	1.4566	2.5228		2.5228
O4	1.4566	2.5228	2.5228

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=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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