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	hartrees
Energy at 0K	-622.177206
Energy at 298.15K	-622.179464
HF Energy	-622.177206
Nuclear repulsion energy	189.139345

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'	1257	1140	0.00	26.56	0.07	0.13
2	A₂"	597	541	72.23	0.00	0.00	0.00
3	E'	1592	1443	322.74	4.33	0.75	0.86
3	E'	1592	1443	322.74	4.33	0.75	0.86
4	E'	610	553	45.52	2.67	0.75	0.86
4	E'	610	553	45.52	2.67	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.385
O3	1.199	-0.692
O4	-1.199	-0.692

	S1	O2	O3	O4
S1		1.3845	1.3845	1.3845
O2	1.3845		2.3980	2.3980
O3	1.3845	2.3980		2.3980
O4	1.3845	2.3980	2.3980

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: HF/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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Number	Element	Mulliken
1	S	1.383
2	O	-0.461
3	O	-0.461
4	O	-0.461

<r²>	64.250
(<r²>)^1/2	8.016

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

using model chemistry: HF/Def2TZVPP

States and conformations

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