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	hartrees
Energy at 0K	-3394.671360
Energy at 298.15K	-3394.669772
HF Energy	-3394.671360
Nuclear repulsion energy	419.155784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	830	823	35.26
2	A'	302	299	20.56
3	A'	185	184	7.47
4	A'	116	115	1.29
5	A"	293	291	61.05
6	A"	191	190	1.23

Atom	x (Å)	y (Å)	z (Å)
Se1	0.167	0.654	0.000
O2	-1.420	1.295	0.000
Cl3	0.167	-0.959	1.839
Cl4	0.167	-0.959	-1.839

	Se1	O2	Cl3	Cl4
Se1		1.7109	2.4467	2.4467
O2	1.7109		3.3136	3.3136
Cl3	2.4467	3.3136		3.6788
Cl4	2.4467	3.3136	3.6788

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	104.286		O2	Se1	Cl4	104.286
Cl3	Se1	Cl4	97.489

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

using model chemistry: BLYP/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	0.857
2	O	-0.475
3	Cl	-0.191
4	Cl	-0.191

	x	y	z	Total
	2.117	2.225	0.000	3.071
CHELPG
AIM
ESP

	x	y	z
x	4.487	-1.759	0.000
y	-1.759	7.965	0.000
z	0.000	0.000	11.898

<r²>	224.433
(<r²>)^1/2	14.981

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

using model chemistry: BLYP/6-31G

States and conformations

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