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	hartrees
Energy at 0K	-3396.179190
Energy at 298.15K	-3396.177930
HF Energy	-3396.179190
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	977	958	63.74
2	A'	364	357	40.17
3	A'	242	238	6.24
4	A'	139	136	0.66
5	A"	338	331	108.27
6	A"	230	226	0.03

Atom	x (Å)	y (Å)	z (Å)
Se1	0.156	0.591	0.000
O2	-1.323	1.268	0.000
Cl3	0.156	-0.890	1.721
Cl4	0.156	-0.890	-1.721

	Se1	O2	Cl3	Cl4
Se1		1.6267	2.2710	2.2710
O2	1.6267		3.1320	3.1320
Cl3	2.2710	3.1320		3.4429
Cl4	2.2710	3.1320	3.4429

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	113.881		O2	Se1	Cl4	113.881
Cl3	Se1	Cl4	128.683

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

using model chemistry: B97D3/6-31G*

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	0.686
2	O	-0.405
3	Cl	-0.140
4	Cl	-0.140

	x	y	z	Total
	1.847	1.190	0.000	2.197
CHELPG
AIM
ESP

	x	y	z
x	4.897	-1.200	0.000
y	-1.200	7.585	0.000
z	0.000	0.000	10.251

<r²>	198.632
(<r²>)^1/2	14.094

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

using model chemistry: B97D3/6-31G*

States and conformations

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