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	hartrees
Energy at 0K	-622.781014
Energy at 298.15K	-622.782972
HF Energy	-622.020857
Nuclear repulsion energy	178.452353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	999	999	0.00
2	A₂"	473	473	30.52
3	E'	1302	1302	174.21
3	E'	1302	1302	174.21
4	E'	488	488	25.57
4	E'	488	488	25.57

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.467
O3	1.271	-0.734
O4	-1.271	-0.734

	S1	O2	O3	O4
S1		1.4674	1.4674	1.4674
O2	1.4674		2.5416	2.5416
O3	1.4674	2.5416		2.5416
O4	1.4674	2.5416	2.5416

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: QCISD/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: QCISD/daug-cc-pVDZ

States and conformations

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