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	hartrees
Energy at 0K	-2626.524993
Energy at 298.15K	-2626.524584
HF Energy	-2626.524993
Nuclear repulsion energy	298.762092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	840	835	0.00
2	A₂"	254	252	18.61
3	E'	947	941	77.30
3	E'	947	941	77.31
4	E'	319	317	17.81
4	E'	319	317	17.82

Atom	x (Å)	y (Å)
Se1	0.000	0.000
O2	0.000	1.642
O3	1.422	-0.821
O4	-1.422	-0.821

	Se1	O2	O3	O4
Se1		1.6417	1.6417	1.6417
O2	1.6417		2.8435	2.8435
O3	1.6417	2.8435		2.8435
O4	1.6417	2.8435	2.8435

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/aug-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	1.874
2	O	-0.625
3	O	-0.625
4	O	-0.625

<r²>	86.878
(<r²>)^1/2	9.321

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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