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	hartrees
Energy at 0K	-3389.638455
Energy at 298.15K	-3389.637314
HF Energy	-3389.638455
Nuclear repulsion energy	457.041472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1009	990	62.65
2	A'	401	393	43.11
3	A'	252	247	6.55
4	A'	145	142	0.70
5	A"	375	368	111.89
6	A"	235	231	0.88

Atom	x (Å)	y (Å)	z (Å)
Se1	0.156	0.584	0.000
O2	-1.322	1.235	0.000
Cl3	0.156	-0.875	1.675
Cl4	0.156	-0.875	-1.675

	Se1	O2	Cl3	Cl4
Se1		1.6145	2.2214	2.2214
O2	1.6145		3.0725	3.0725
Cl3	2.2214	3.0725		3.3493
Cl4	2.2214	3.0725	3.3493

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.353		O2	Se1	Cl4	105.353
Cl3	Se1	Cl4	97.853

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

using model chemistry: LSDA/6-31G**

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	0.584
2	O	-0.382
3	Cl	-0.101
4	Cl	-0.101

	x	y	z	Total
	1.854	0.924	0.000	2.071
CHELPG
AIM
ESP

	x	y	z
x	4.865	-1.132	0.000
y	-1.132	7.376	0.000
z	0.000	0.000	9.747

<r²>	191.377
(<r²>)^1/2	13.834

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

using model chemistry: LSDA/6-31G**

States and conformations

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