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	hartrees
Energy at 0K	-2625.182446
Energy at 298.15K	-2625.182233
HF Energy	-2625.182446
Nuclear repulsion energy	310.289524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	988	943	0.00
2	A₂"	280	267	26.54
3	E'	1115	1064	76.35
3	E'	1115	1064	76.37
4	E'	356	340	24.98
4	E'	356	340	24.97

Atom	x (Å)	y (Å)
Se1	0.000	0.000
O2	0.000	1.581
O3	1.369	-0.790
O4	-1.369	-0.790

	Se1	O2	O3	O4
Se1		1.5807	1.5807	1.5807
O2	1.5807		2.7378	2.7378
O3	1.5807	2.7378		2.7378
O4	1.5807	2.7378	2.7378

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	O3	120.000		O2	Se1	O4	120.000
O3	Se1	O4	120.000

All results from a given calculation for SeO₃ (selenium trioxide)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	Se	1.270
2	O	-0.423
3	O	-0.423
4	O	-0.423

<r²>	81.477
(<r²>)^1/2	9.026

All results from a given calculation for SeO3 (selenium trioxide)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for SeO₃ (selenium trioxide)