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	hartrees
Energy at 0K	-3397.184218
Energy at 298.15K	-3397.183087
HF Energy	-3397.184218
Nuclear repulsion energy	459.049632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1028	988	92.91
2	A'	387	372	51.43
3	A'	268	258	6.58
4	A'	145	140	0.37
5	A"	358	344	117.87
6	A"	235	226	0.19

Atom	x (Å)	y (Å)	z (Å)
Se1	0.152	0.583	0.000
O2	-1.295	1.252	0.000
Cl3	0.152	-0.877	1.667
Cl4	0.152	-0.877	-1.667

	Se1	O2	Cl3	Cl4
Se1		1.5944	2.2165	2.2165
O2	1.5944		3.0672	3.0672
Cl3	2.2165	3.0672		3.3348
Cl4	2.2165	3.0672	3.3348

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.038		O2	Se1	Cl4	106.038
Cl3	Se1	Cl4	97.574

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

using model chemistry: B3PW91/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	0.790
2	O	-0.417
3	Cl	-0.186
4	Cl	-0.186

	x	y	z	Total
	2.112	0.593	0.000	2.194
CHELPG
AIM
ESP

	x	y	z
x	5.817	-1.091	0.000
y	-1.091	8.217	0.000
z	0.000	0.000	10.330

<r²>	190.256
(<r²>)^1/2	13.793

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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