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	hartrees
Energy at 0K	-3394.316747
Energy at 298.15K	-3394.315563
HF Energy	-3394.316747
Nuclear repulsion energy	457.121273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1012	1002	59.85
2	A'	381	377	40.85
3	A'	258	255	4.61
4	A'	140	138	0.27
5	A"	353	350	104.52
6	A"	229	227	0.09

Atom	x (Å)	y (Å)	z (Å)
Se1	0.153	0.576	0.000
O2	-1.300	1.265	0.000
Cl3	0.153	-0.874	1.681
Cl4	0.153	-0.874	-1.681

	Se1	O2	Cl3	Cl4
Se1		1.6084	2.2205	2.2205
O2	1.6084		3.0849	3.0849
Cl3	2.2205	3.0849		3.3625
Cl4	2.2205	3.0849	3.3625

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.249		O2	Se1	Cl4	106.249
Cl3	Se1	Cl4	98.424

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.701
2	O	-0.340
3	Cl	-0.180
4	Cl	-0.180

	x	y	z	Total
	1.678	0.637	0.000	1.795
CHELPG
AIM
ESP

	x	y	z
x	5.907	-0.974	0.000
y	-0.974	8.284	0.000
z	0.000	0.000	10.628

<r²>	191.563
(<r²>)^1/2	13.841

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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