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	hartrees
Energy at 0K	-3397.034008
Energy at 298.15K	-3397.032818
HF Energy	-3397.034008
Nuclear repulsion energy	453.984161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1001	966	81.76
2	A'	378	365	48.56
3	A'	259	250	8.29
4	A'	141	136	0.68
5	A"	349	337	114.79
6	A"	227	219	0.07

Atom	x (Å)	y (Å)	z (Å)
Se1	0.153	0.586	0.000
O2	-1.300	1.283	0.000
Cl3	0.153	-0.888	1.687
Cl4	0.153	-0.888	-1.687

	Se1	O2	Cl3	Cl4
Se1		1.6112	2.2405	2.2405
O2	1.6112		3.1098	3.1098
Cl3	2.2405	3.1098		3.3741
Cl4	2.2405	3.1098	3.3741

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.542		O2	Se1	Cl4	106.542
Cl3	Se1	Cl4	97.699

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

using model chemistry: B3PW91/cc-pVDZ

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	0.833
2	O	-0.418
3	Cl	-0.207
4	Cl	-0.207

	x	y	z	Total
	2.099	1.014	0.000	2.331
CHELPG
AIM
ESP

	x	y	z
x	4.551	-1.197	0.000
y	-1.197	7.268	0.000
z	0.000	0.000	9.475

<r²>	194.224
(<r²>)^1/2	13.936

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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