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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D3H	¹A₁^'
1	2	no	C2V	¹A₁

	hartrees
Energy at 0K	-2624.986749
Energy at 298.15K	-2624.986503
HF Energy	-2624.210353
Nuclear repulsion energy	304.799815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	917	871	0.00
2	A₂"	282	268	20.18
3	E'	1087	1033	81.84
3	E'	1087	1033	81.84
4	E'	350	333	26.38
4	E'	350	333	26.38

Atom	x (Å)	y (Å)
Se1	0.000	0.000
O2	0.000	1.611
O3	1.395	-0.806
O4	-1.395	-0.806

	Se1	O2	O3	O4
Se1		1.6112	1.6112	1.6112
O2	1.6112		2.7906	2.7906
O3	1.6112	2.7906		2.7906
O4	1.6112	2.7906	2.7906

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

using model chemistry: MP2/6-311G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1087	1033	81.84
2	A₁	917	871	0.00
3	A₁	350	333	26.38
4	B₁	282	268	20.18
5	B₂	1087	1033	81.84
6	B₂	350	333	26.38

Atom	y (Å)	z (Å)
Se1	0.000	0.009
O2	0.000	-1.965
O3	1.354	0.963
O4	-1.354	0.963

	Se1	O2	O3	O4
Se1		1.9748	1.6560	1.6560
O2	1.9748		3.2262	3.2262
O3	1.6560	3.2262		2.7079
O4	1.6560	3.2262	2.7079

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	O3	120.000		O2	Se1	O4	120.000
O3	Se1	O4	120.000

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	O3	125.155		O2	Se1	O4	125.155
O3	Se1	O4	109.690

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

using model chemistry: MP2/6-311G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (C2V)

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