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	hartrees
Energy at 0K	-3397.303844
Energy at 298.15K	-3397.302789
HF Energy	-3397.303844
Nuclear repulsion energy	462.234104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1051	1005	106.42
2	A'	405	387	58.56
3	A'	278	266	7.80
4	A'	152	145	0.43
5	A"	376	359	125.95
6	A"	244	233	0.61

Atom	x (Å)	y (Å)	z (Å)
Se1	0.085	0.265	0.000
O2	-0.721	1.724	0.000
Cl3	0.085	-0.670	1.892
Cl4	0.085	-0.670	-1.892

	Se1	O2	Cl3	Cl4
Se1		1.6667	2.1109	2.1109
O2	1.6667		3.1563	3.1563
Cl3	2.1109	3.1563		3.7848
Cl4	2.1109	3.1563	3.7848

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	112.815		O2	Se1	Cl4	112.815
Cl3	Se1	Cl4	127.405

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

using model chemistry: wB97X-D/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	0.817
2	O	-0.437
3	Cl	-0.190
4	Cl	-0.190

	x	y	z	Total
	2.222	0.582	0.000	2.297
CHELPG
AIM
ESP

	x	y	z
x	5.751	-1.056	0.000
y	-1.056	8.094	0.000
z	0.000	0.000	10.076

<r²>	187.881
(<r²>)^1/2	13.707

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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