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	hartrees
Energy at 0K	-3381.303270
Energy at 298.15K	-3381.302125
HF Energy	-3381.303270
Nuclear repulsion energy	455.162548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1033	991	49.25
2	A'	390	375	49.53
3	A'	260	250	8.08
4	A'	150	144	0.87
5	A"	360	345	118.45
6	A"	233	223	0.01

Atom	x (Å)	y (Å)	z (Å)
Se1	0.155	0.586	0.000
O2	-1.316	1.295	0.000
Cl3	0.155	-0.890	1.665
Cl4	0.155	-0.890	-1.665

	Se1	O2	Cl3	Cl4
Se1		1.6334	2.2250	2.2250
O2	1.6334		3.1167	3.1167
Cl3	2.2250	3.1167		3.3301
Cl4	2.2250	3.1167	3.3301

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.752		O2	Se1	Cl4	106.752
Cl3	Se1	Cl4	96.894

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

using model chemistry: B3PW91/3-21G*

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	0.694
2	O	-0.356
3	Cl	-0.169
4	Cl	-0.169

	x	y	z	Total
	1.904	1.239	0.000	2.271
CHELPG
AIM
ESP

	x	y	z
x	4.355	-1.100	0.000
y	-1.100	6.992	0.000
z	0.000	0.000	9.136

<r²>	192.589
(<r²>)^1/2	13.878

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

using model chemistry: B3PW91/3-21G*

States and conformations

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