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	hartrees
Energy at 0K	-2614.143302
Energy at 298.15K	-2614.142842
HF Energy	-2614.143302
Nuclear repulsion energy	295.919866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	862	822	0.00
2	A₂"	238	226	14.19
3	E'	999	953	36.33
3	E'	999	953	36.33
4	E'	302	288	17.23
4	E'	302	288	17.23

Atom	x (Å)	y (Å)
Se1	0.000	0.000
O2	0.000	1.657
O3	1.435	-0.829
O4	-1.435	-0.829

	Se1	O2	O3	O4
Se1		1.6574	1.6574	1.6574
O2	1.6574		2.8708	2.8708
O3	1.6574	2.8708		2.8708
O4	1.6574	2.8708	2.8708

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: PBEPBE/3-21G*

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	0.968
2	O	-0.323
3	O	-0.323
4	O	-0.323

<r²>	87.161
(<r²>)^1/2	9.336

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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