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	hartrees
Energy at 0K	-3397.058623
Energy at 298.15K	-3397.057438
HF Energy	-3397.058623
Nuclear repulsion energy	454.663115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	989	954	92.93
2	A'	380	366	46.87
3	A'	258	249	5.80
4	A'	142	137	0.28
5	A"	351	338	108.71
6	A"	226	218	0.18

Atom	x (Å)	y (Å)	z (Å)
Se1	0.154	0.589	0.000
O2	-1.311	1.269	0.000
Cl3	0.154	-0.887	1.680
Cl4	0.154	-0.887	-1.680

	Se1	O2	Cl3	Cl4
Se1		1.6156	2.2357	2.2357
O2	1.6156		3.1008	3.1008
Cl3	2.2357	3.1008		3.3591
Cl4	2.2357	3.1008	3.3591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.129		O2	Se1	Cl4	106.129
Cl3	Se1	Cl4	97.397

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

using model chemistry: B3PW91/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	1.250
2	O	-0.700
3	Cl	-0.275
4	Cl	-0.275

	x	y	z	Total
	2.089	0.571	0.000	2.165
CHELPG
AIM
ESP

	x	y	z
x	7.287	-1.198	0.000
y	-1.198	9.483	0.000
z	0.000	0.000	11.656

<r²>	193.427
(<r²>)^1/2	13.908

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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