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	hartrees
Energy at 0K	-623.268357
Energy at 298.15K	-623.270482
HF Energy	-622.157681
Nuclear repulsion energy	185.512549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1138	1138	0.00
2	A₂"	531	531	39.07
3	E'	1469	1469	210.32
3	E'	1469	1469	210.32
4	E'	550	550	30.07
4	E'	550	550	30.07

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.412
O3	1.222	-0.706
O4	-1.222	-0.706

	S1	O2	O3	O4
S1		1.4116	1.4116	1.4116
O2	1.4116		2.4449	2.4449
O3	1.4116	2.4449		2.4449
O4	1.4116	2.4449	2.4449

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: CCSD=FULL/6-311+G(3df,2p)

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: CCSD=FULL/6-311+G(3df,2p)

States and conformations

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