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	hartrees
Energy at 0K	-3394.891803
Energy at 298.15K	-3394.890658
HF Energy	-3394.891803
Nuclear repulsion energy	455.557781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1005	967	99.33
2	A'	390	375	51.92
3	A'	262	252	7.41
4	A'	147	142	0.57
5	A"	362	348	120.07
6	A"	235	226	0.44

Atom	x (Å)	y (Å)	z (Å)
Se1	0.074	0.251	0.000
O2	-0.628	1.781	0.000
Cl3	0.074	-0.670	1.901
Cl4	0.074	-0.670	-1.901

	Se1	O2	Cl3	Cl4
Se1		1.6835	2.1128	2.1128
O2	1.6835		3.1809	3.1809
Cl3	2.1128	3.1809		3.8027
Cl4	2.1128	3.1809	3.8027

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	113.353		O2	Se1	Cl4	113.353
Cl3	Se1	Cl4	128.290

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

using model chemistry: TPSSh/6-31+G**

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	0.569
2	O	-0.458
3	Cl	-0.056
4	Cl	-0.056

	x	y	z	Total
	2.106	0.724	0.000	2.228
CHELPG
AIM
ESP

	x	y	z
x	6.045	-1.314	0.000
y	-1.314	8.448	0.000
z	0.000	0.000	10.636

<r²>	193.203
(<r²>)^1/2	13.900

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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