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	hartrees
Energy at 0K	-623.754079
Energy at 298.15K	-623.756103
HF Energy	-623.754079
Nuclear repulsion energy	182.915308

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'	1080	1080	0.00	31.64	0.09	0.16
2	A₂"	484	484	46.50	0.00	0.75	0.86
3	E'	1406	1406	221.45	5.33	0.75	0.86
3	E'	1406	1406	221.50	5.33	0.75	0.86
4	E'	517	517	34.09	4.72	0.75	0.86
4	E'	517	517	34.08	4.72	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.432
O3	1.240	-0.716
O4	-1.240	-0.716

	S1	O2	O3	O4
S1		1.4316	1.4316	1.4316
O2	1.4316		2.4796	2.4796
O3	1.4316	2.4796		2.4796
O4	1.4316	2.4796	2.4796

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: wB97X-D/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	S	1.206
2	O	-0.402
3	O	-0.402
4	O	-0.402

<r²>	67.644
(<r²>)^1/2	8.225

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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