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	hartrees
Energy at 0K	-623.605530
Energy at 298.15K	-623.607607
HF Energy	-623.605530
Nuclear repulsion energy	184.459363

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'	1107	1107	0.00	32.03	0.08	0.15
2	A₂"	509	509	35.77	0.00	0.75	0.86
3	E'	1442	1442	209.16	6.30	0.75	0.86
3	E'	1442	1442	209.16	6.31	0.75	0.86
4	E'	534	534	28.62	3.59	0.75	0.86
4	E'	534	534	28.63	3.59	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.000
O2	0.000	1.420
O3	1.229	-0.710
O4	-1.229	-0.710

	S1	O2	O3	O4
S1		1.4196	1.4196	1.4196
O2	1.4196		2.4589	2.4589
O3	1.4196	2.4589		2.4589
O4	1.4196	2.4589	2.4589

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: HSEh1PBE/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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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	0.989
2	O	-0.330
3	O	-0.330
4	O	-0.330

<r²>	66.442
(<r²>)^1/2	8.151

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

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

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