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	hartrees
Energy at 0K	-3394.860329
Energy at 298.15K	-3394.859161
HF Energy	-3394.860329
Nuclear repulsion energy	453.977103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1007	966	73.29
2	A'	388	372	47.61
3	A'	255	245	7.26
4	A'	147	141	0.69
5	A"	359	344	116.92
6	A"	236	226	0.23

Atom	x (Å)	y (Å)	z (Å)
Se1	0.072	0.250	0.000
O2	-0.611	1.790	0.000
Cl3	0.072	-0.671	1.901
Cl4	0.072	-0.671	-1.901

	Se1	O2	Cl3	Cl4
Se1		1.6848	2.1130	2.1130
O2	1.6848		3.1846	3.1846
Cl3	2.1130	3.1846		3.8029
Cl4	2.1130	3.1846	3.8029

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	113.491		O2	Se1	Cl4	113.491
Cl3	Se1	Cl4	128.289

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

using model chemistry: TPSSh/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	0.704
2	O	-0.439
3	Cl	-0.132
4	Cl	-0.132

	x	y	z	Total
	1.954	1.047	0.000	2.217
CHELPG
AIM
ESP

	x	y	z
x	4.839	-1.154	0.000
y	-1.154	7.436	0.000
z	0.000	0.000	9.814

<r²>	193.953
(<r²>)^1/2	13.927

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

using model chemistry: TPSSh/6-31G*

States and conformations

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