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	hartrees
Energy at 0K	-3389.672656
Energy at 298.15K	-3389.671527
HF Energy	-3389.672656
Nuclear repulsion energy	458.486438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1007	992	89.99
2	A'	402	396	47.82
3	A'	258	254	6.78
4	A'	144	142	0.55
5	A"	377	371	117.28
6	A"	234	230	1.24

Atom	x (Å)	y (Å)	z (Å)
Se1	0.154	0.580	0.000
O2	-1.311	1.248	0.000
Cl3	0.154	-0.874	1.669
Cl4	0.154	-0.874	-1.669

	Se1	O2	Cl3	Cl4
Se1		1.6104	2.2131	2.2131
O2	1.6104		3.0712	3.0712
Cl3	2.2131	3.0712		3.3375
Cl4	2.2131	3.0712	3.3375

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.803		O2	Se1	Cl4	105.803
Cl3	Se1	Cl4	97.886

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

using model chemistry: SVWN/6-31+G**

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	0.496
2	O	-0.417
3	Cl	-0.040
4	Cl	-0.040

	x	y	z	Total
	2.070	0.601	0.000	2.156
CHELPG
AIM
ESP

	x	y	z
x	6.242	-1.321	0.000
y	-1.321	8.524	0.000
z	0.000	0.000	10.773

<r²>	190.942
(<r²>)^1/2	13.818

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

using model chemistry: SVWN/6-31+G**

States and conformations

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