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	hartrees
Energy at 0K	-3380.945434
Energy at 298.15K	-3380.943802
HF Energy	-3380.945434
Nuclear repulsion energy	415.032176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	923	918	26.69
2	A'	291	290	17.64
3	A'	196	195	8.35
4	A'	84	84	1.86
5	A"	285	284	58.76
6	A"	184	183	0.38

Atom	x (Å)	y (Å)	z (Å)
Se1	0.154	0.621	0.000
O2	-1.313	1.436	0.000
Cl3	0.154	-0.959	1.909
Cl4	0.154	-0.959	-1.909

	Se1	O2	Cl3	Cl4
Se1		1.6785	2.4782	2.4782
O2	1.6785		3.3964	3.3964
Cl3	2.4782	3.3964		3.8181
Cl4	2.4782	3.3964	3.8181

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	108.042		O2	Se1	Cl4	108.042
Cl3	Se1	Cl4	100.770

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

using model chemistry: BLYP/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	0.931
2	O	-0.404
3	Cl	-0.263
4	Cl	-0.263

	x	y	z	Total
	1.510	2.773	0.000	3.157
CHELPG
AIM
ESP

	x	y	z
x	3.601	-1.634	0.000
y	-1.634	7.536	0.000
z	0.000	0.000	12.102

<r²>	232.487
(<r²>)^1/2	15.248

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

using model chemistry: BLYP/3-21G

States and conformations

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