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	hartrees
Energy at 0K	-623.513676
Energy at 298.15K	-623.515571
HF Energy	-623.243194
Nuclear repulsion energy	177.469995

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'	959	959	0.00	54.05	0.06	0.10
2	A₂"	448	448	25.05	0.00	0.75	0.86
3	E'	1279	1279	154.68	8.73	0.75	0.86
3	E'	1279	1279	154.65	8.64	0.75	0.86
4	E'	468	468	22.49	3.16	0.75	0.86
4	E'	468	468	22.50	3.17	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.476
O3	1.278	-0.738
O4	-1.278	-0.738

	S1	O2	O3	O4
S1		1.4755	1.4755	1.4755
O2	1.4755		2.5557	2.5557
O3	1.4755	2.5557		2.5557
O4	1.4755	2.5557	2.5557

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/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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