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	hartrees
Energy at 0K	-3397.584046
Energy at 298.15K	-3397.582872
HF Energy	-3397.584046
Nuclear repulsion energy	456.947126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	998	956	96.16
2	A'	384	368	48.83
3	A'	259	248	6.10
4	A'	143	137	0.31
5	A"	354	339	110.34
6	A"	225	216	0.32

Atom	x (Å)	y (Å)	z (Å)
Se1	0.154	0.589	0.000
O2	-1.311	1.258	0.000
Cl3	0.154	-0.885	1.666
Cl4	0.154	-0.885	-1.666

	Se1	O2	Cl3	Cl4
Se1		1.6105	2.2244	2.2244
O2	1.6105		3.0845	3.0845
Cl3	2.2244	3.0845		3.3313
Cl4	2.2244	3.0845	3.3313

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.974		O2	Se1	Cl4	105.974
Cl3	Se1	Cl4	96.971

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

using model chemistry: B1B95/aug-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	1.222
2	O	-0.700
3	Cl	-0.261
4	Cl	-0.261

	x	y	z	Total
	2.126	0.551	0.000	2.197
CHELPG
AIM
ESP

	x	y	z
x	7.245	-1.182	0.000
y	-1.182	9.413	0.000
z	0.000	0.000	11.512

<r²>	191.507
(<r²>)^1/2	13.839

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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