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	hartrees
Energy at 0K	-3394.964594
Energy at 298.15K	-3394.963279
HF Energy	-3394.964594
Nuclear repulsion energy	443.127536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	948	941	58.29
2	A'	355	352	36.80
3	A'	232	230	6.02
4	A'	131	130	0.65
5	A"	330	328	103.36
6	A"	223	221	0.01

Atom	x (Å)	y (Å)	z (Å)
Se1	0.156	0.593	0.000
O2	-1.329	1.290	0.000
Cl3	0.156	-0.897	1.748
Cl4	0.156	-0.897	-1.748

	Se1	O2	Cl3	Cl4
Se1		1.6411	2.2973	2.2973
O2	1.6411		3.1699	3.1699
Cl3	2.2973	3.1699		3.4969
Cl4	2.2973	3.1699	3.4969

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.990		O2	Se1	Cl4	105.990
Cl3	Se1	Cl4	99.119

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

using model chemistry: BLYP/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	0.687
2	O	-0.395
3	Cl	-0.146
4	Cl	-0.146

	x	y	z	Total
	1.818	1.264	0.000	2.214
CHELPG
AIM
ESP

	x	y	z
x	4.937	-1.237	0.000
y	-1.237	7.712	0.000
z	0.000	0.000	10.603

<r²>	203.227
(<r²>)^1/2	14.256

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

using model chemistry: BLYP/6-31G**

States and conformations

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