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	hartrees
Energy at 0K	-3380.605653
Energy at 298.15K	-3380.604399
HF Energy	-3380.605653
Nuclear repulsion energy	448.742538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	988	942	36.41
2	A'	369	352	40.60
3	A'	244	232	6.25
4	A'	136	130	0.80
5	A"	341	325	107.28
6	A"	223	213	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.156	0.587	0.000
O2	-1.323	1.330	0.000
Cl3	0.156	-0.900	1.696
Cl4	0.156	-0.900	-1.696

	Se1	O2	Cl3	Cl4
Se1		1.6542	2.2557	2.2557
O2	1.6542		3.1674	3.1674
Cl3	2.2557	3.1674		3.3911
Cl4	2.2557	3.1674	3.3911

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	107.210		O2	Se1	Cl4	107.210
Cl3	Se1	Cl4	97.472

All results from a given calculation for SeOCl₂ (selenium oxychloride)

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	0.635
2	O	-0.303
3	Cl	-0.166
4	Cl	-0.166

	x	y	z	Total
	1.623	1.388	0.000	2.136
CHELPG
AIM
ESP

	x	y	z
x	4.454	-1.153	0.000
y	-1.153	7.183	0.000
z	0.000	0.000	9.575

<r²>	197.592
(<r²>)^1/2	14.057

All results from a given calculation for SeOCl2 (selenium oxychloride)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for SeOCl₂ (selenium oxychloride)