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	hartrees
Energy at 0K	-3396.367307
Energy at 298.15K	-3396.366007
HF Energy	-3396.367307
Nuclear repulsion energy	447.970532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	937	928	70.40
2	A'	356	353	43.60
3	A'	240	238	6.51
4	A'	130	129	0.60
5	A"	328	325	118.07
6	A"	219	217	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.154	0.589	0.000
O2	-1.310	1.292	0.000
Cl3	0.154	-0.893	1.722
Cl4	0.154	-0.893	-1.722

	Se1	O2	Cl3	Cl4
Se1		1.6245	2.2725	2.2725
O2	1.6245		3.1443	3.1443
Cl3	2.2725	3.1443		3.4445
Cl4	2.2725	3.1443	3.4445

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.390		O2	Se1	Cl4	106.390
Cl3	Se1	Cl4	98.554

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

using model chemistry: PBEPBE/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	0.704
2	O	-0.366
3	Cl	-0.169
4	Cl	-0.169

	x	y	z	Total
	1.911	1.209	0.000	2.261
CHELPG
AIM
ESP

	x	y	z
x	4.943	-1.247	0.000
y	-1.247	7.962	0.000
z	0.000	0.000	10.761

<r²>	199.859
(<r²>)^1/2	14.137

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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