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	hartrees
Energy at 0K	-2627.307513
Energy at 298.15K	-2627.307248
HF Energy	-2627.307513
Nuclear repulsion energy	305.749344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	921	886	0.00
2	A₂"	278	268	28.03
3	E'	1038	998	77.97
3	E'	1038	998	77.96
4	E'	347	333	27.63
4	E'	347	333	27.63

Atom	x (Å)	y (Å)
Se1	0.000	0.000
O2	0.000	1.604
O3	1.389	-0.802
O4	-1.389	-0.802

	Se1	O2	O3	O4
Se1		1.6042	1.6042	1.6042
O2	1.6042		2.7785	2.7785
O3	1.6042	2.7785		2.7785
O4	1.6042	2.7785	2.7785

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: B1B95/cc-pVDZ

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	1.245
2	O	-0.415
3	O	-0.415
4	O	-0.415

<r²>	83.429
(<r²>)^1/2	9.134

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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