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	hartrees
Energy at 0K	-623.906067
Energy at 298.15K	-623.907958
HF Energy	-623.906067
Nuclear repulsion energy	178.772730

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'	960	956	0.00	45.82	0.06	0.11
2	A₂"	438	437	23.59	0.00	0.75	0.86
3	E'	1264	1260	160.51	7.74	0.75	0.86
3	E'	1264	1260	160.49	7.74	0.75	0.86
4	E'	473	472	20.09	2.92	0.75	0.86
4	E'	473	472	20.08	2.91	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.465
O3	1.269	-0.732
O4	-1.269	-0.732

	S1	O2	O3	O4
S1		1.4648	1.4648	1.4648
O2	1.4648		2.5371	2.5371
O3	1.4648	2.5371		2.5371
O4	1.4648	2.5371	2.5371

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: BLYP/aug-cc-pVTZ

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	1.654
2	O	-0.551
3	O	-0.551
4	O	-0.551

<r²>	69.989
(<r²>)^1/2	8.366

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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