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	hartrees
Energy at 0K	-3394.954987
Energy at 298.15K	-3394.953980
HF Energy	-3394.954987
Nuclear repulsion energy	461.229379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1042	993	122.77
2	A'	420	400	62.20
3	A'	281	267	9.72
4	A'	161	154	0.68
5	A"	394	376	129.41
6	A"	251	239	1.33

Atom	x (Å)	y (Å)	z (Å)
Se1	0.085	0.264	0.000
O2	-0.719	1.731	0.000
Cl3	0.085	-0.672	1.893
Cl4	0.085	-0.672	-1.893

	Se1	O2	Cl3	Cl4
Se1		1.6723	2.1117	2.1117
O2	1.6723		3.1624	3.1624
Cl3	2.1117	3.1624		3.7861
Cl4	2.1117	3.1624	3.7861

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	112.867		O2	Se1	Cl4	112.867
Cl3	Se1	Cl4	127.386

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

using model chemistry: wB97X-D/6-31+G**

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	0.646
2	O	-0.517
3	Cl	-0.064
4	Cl	-0.064

	x	y	z	Total
	2.357	0.625	0.000	2.438
CHELPG
AIM
ESP

	x	y	z
x	5.929	-1.232	0.000
y	-1.232	8.217	0.000
z	0.000	0.000	10.171

<r²>	188.847
(<r²>)^1/2	13.742

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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