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	hartrees
Energy at 0K	-2626.659409
Energy at 298.15K	-2626.659050
HF Energy	-2626.659409
Nuclear repulsion energy	302.914525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	871	865	0.00
2	A₂"	252	251	20.14
3	E'	983	976	72.56
3	E'	983	976	72.58
4	E'	332	330	19.25
4	E'	332	330	19.26

Atom	x (Å)	y (Å)
Se1	0.000	0.000
O2	0.000	1.619
O3	1.402	-0.810
O4	-1.402	-0.810

	Se1	O2	O3	O4
Se1		1.6192	1.6192	1.6192
O2	1.6192		2.8045	2.8045
O3	1.6192	2.8045		2.8045
O4	1.6192	2.8045	2.8045

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/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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Number	Element	Mulliken
1	Se	1.065
2	O	-0.355
3	O	-0.355
4	O	-0.355

<r²>	84.727
(<r²>)^1/2	9.205

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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