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	hartrees
Energy at 0K	-623.575309
Energy at 298.15K	-623.576683
HF Energy	-623.575309
Nuclear repulsion energy	163.901876

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'	770	740	0.00	29.70	0.14	0.24
2	A₂"	290	279	29.85	0.00	0.75	0.86
3	E'	983	945	66.11	5.89	0.75	0.86
3	E'	983	945	66.11	5.89	0.75	0.86
4	E'	357	343	18.32	8.85	0.75	0.86
4	E'	357	343	18.32	8.85	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.598
O3	1.384	-0.799
O4	-1.384	-0.799

	S1	O2	O3	O4
S1		1.5977	1.5977	1.5977
O2	1.5977		2.7673	2.7673
O3	1.5977	2.7673		2.7673
O4	1.5977	2.7673	2.7673

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: B3LYP/SDD

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	1.360
2	O	-0.453
3	O	-0.453
4	O	-0.453

<r²>	81.051
(<r²>)^1/2	9.003

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

using model chemistry: B3LYP/SDD

States and conformations

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