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	hartrees
Energy at 0K	-3397.207000
Energy at 298.15K	-3397.205581
HF Energy	-3397.207000
Nuclear repulsion energy	440.476855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	911	909	67.72
2	A'	332	331	38.77
3	A'	227	227	6.30
4	A'	120	120	0.62
5	A"	305	305	111.02
6	A"	209	209	0.28

Atom	x (Å)	y (Å)	z (Å)
Se1	0.154	0.595	0.000
O2	-1.309	1.323	0.000
Cl3	0.154	-0.906	1.765
Cl4	0.154	-0.906	-1.765

	Se1	O2	Cl3	Cl4
Se1		1.6339	2.3168	2.3168
O2	1.6339		3.1972	3.1972
Cl3	2.3168	3.1972		3.5297
Cl4	2.3168	3.1972	3.5297

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.771		O2	Se1	Cl4	106.771
Cl3	Se1	Cl4	99.237

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

using model chemistry: BLYP/6-311G*

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	0.745
2	O	-0.367
3	Cl	-0.189
4	Cl	-0.189

	x	y	z	Total
	1.913	1.413	0.000	2.378
CHELPG
AIM
ESP

	x	y	z
x	4.952	-1.307	0.000
y	-1.307	8.193	0.000
z	0.000	0.000	11.403

<r²>	206.846
(<r²>)^1/2	14.382

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

using model chemistry: BLYP/6-311G*

States and conformations

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