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	hartrees
Energy at 0K	-3394.291588
Energy at 298.15K	-3394.290522
HF Energy	-3394.291588
Nuclear repulsion energy	459.401069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1031	984	110.97
2	A'	406	388	56.43
3	A'	273	260	8.41
4	A'	156	149	0.61
5	A"	379	362	123.84
6	A"	244	233	0.81

Atom	x (Å)	y (Å)	z (Å)
Se1	0.154	0.584	0.000
O2	-1.308	1.242	0.000
Cl3	0.154	-0.876	1.662
Cl4	0.154	-0.876	-1.662

	Se1	O2	Cl3	Cl4
Se1		1.6032	2.2115	2.2115
O2	1.6032		3.0630	3.0630
Cl3	2.2115	3.0630		3.3233
Cl4	2.2115	3.0630	3.3233

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.716		O2	Se1	Cl4	105.716
Cl3	Se1	Cl4	97.415

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

using model chemistry: HSEh1PBE/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	0.601
2	O	-0.493
3	Cl	-0.054
4	Cl	-0.054

	x	y	z	Total
	2.252	0.617	0.000	2.335
CHELPG
AIM
ESP

	x	y	z
x	5.972	-1.252	0.000
y	-1.252	8.300	0.000
z	0.000	0.000	10.349

<r²>	190.283
(<r²>)^1/2	13.794

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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