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	hartrees
Energy at 0K	-3396.641449
Energy at 298.15K	-3396.640346
HF Energy	-3396.641449
Nuclear repulsion energy	460.801989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1038	998	95.72
2	A'	394	378	53.27
3	A'	272	261	6.85
4	A'	149	143	0.39
5	A"	364	350	119.09
6	A"	237	228	0.30

Atom	x (Å)	y (Å)	z (Å)
Se1	0.152	0.583	0.000
O2	-1.295	1.244	0.000
Cl3	0.152	-0.876	1.657
Cl4	0.152	-0.876	-1.657

	Se1	O2	Cl3	Cl4
Se1		1.5912	2.2077	2.2077
O2	1.5912		3.0554	3.0554
Cl3	2.2077	3.0554		3.3144
Cl4	2.2077	3.0554	3.3144

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.940		O2	Se1	Cl4	105.940
Cl3	Se1	Cl4	97.295

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.792
2	O	-0.422
3	Cl	-0.185
4	Cl	-0.185

	x	y	z	Total
	2.143	0.548	0.000	2.212
CHELPG
AIM
ESP

	x	y	z
x	5.788	-1.062	0.000
y	-1.062	8.159	0.000
z	0.000	0.000	10.184

<r²>	188.891
(<r²>)^1/2	13.744

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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