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	hartrees
Energy at 0K	-54.003645
Energy at 298.15K	-54.002336
HF Energy	-54.003645
Nuclear repulsion energy	52.062036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	693	625	48.13
2	A'	375	338	43.21
3	A'	239	216	21.87
4	A'	149	134	1.92
5	A"	375	338	72.26
6	A"	210	189	3.45

Atom	x (Å)	y (Å)	z (Å)
Se1	0.166	0.607	0.000
O2	-1.409	1.255	0.000
Cl3	0.166	-0.902	1.726
Cl4	0.166	-0.902	-1.726

	Se1	O2	Cl3	Cl4
Se1		1.7034	2.2924	2.2924
O2	1.7034		3.1802	3.1802
Cl3	2.2924	3.1802		3.4523
Cl4	2.2924	3.1802	3.4523

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	104.512		O2	Se1	Cl4	104.512
Cl3	Se1	Cl4	97.698

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

using model chemistry: HF/CEP-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	0.994
2	O	-0.599
3	Cl	-0.197
4	Cl	-0.197

	x	y	z	Total
	3.545	0.947	0.000	3.670
CHELPG
AIM
ESP

	x	y	z
x	3.802	-1.908	0.000
y	-1.908	7.715	0.000
z	0.000	0.000	11.456

<r²>	107.187
(<r²>)^1/2	10.353

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

using model chemistry: HF/CEP-31G

States and conformations

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