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	hartrees
Energy at 0K	-2627.331026
Energy at 298.15K	-2627.330808
HF Energy	-2627.331026
Nuclear repulsion energy	308.803923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	952	913	0.00
2	A₂"	278	266	28.48
3	E'	1068	1024	86.55
3	E'	1068	1024	86.56
4	E'	360	345	25.98
4	E'	360	345	25.98

Atom	x (Å)	y (Å)
Se1	0.000	0.000
O2	0.000	1.588
O3	1.375	-0.794
O4	-1.375	-0.794

	Se1	O2	O3	O4
Se1		1.5883	1.5883	1.5883
O2	1.5883		2.7510	2.7510
O3	1.5883	2.7510		2.7510
O4	1.5883	2.7510	2.7510

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/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	1.168
2	O	-0.389
3	O	-0.389
4	O	-0.389

<r²>	82.345
(<r²>)^1/2	9.074

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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