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	hartrees
Energy at 0K	-3381.104893
Energy at 298.15K	-3381.103452
HF Energy	-3381.104893
Nuclear repulsion energy	428.006398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	995	950	41.75
2	A'	329	314	26.75
3	A'	222	212	11.89
4	A'	100	95	1.83
5	A"	315	301	70.19
6	A"	203	194	0.40

Atom	x (Å)	y (Å)	z (Å)
Se1	0.155	0.632	0.000
O2	-1.313	1.375	0.000
Cl3	0.155	-0.956	1.805
Cl4	0.155	-0.956	-1.805

	Se1	O2	Cl3	Cl4
Se1		1.6454	2.4040	2.4040
O2	1.6454		3.2934	3.2934
Cl3	2.4040	3.2934		3.6104
Cl4	2.4040	3.2934	3.6104

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	107.360		O2	Se1	Cl4	107.360
Cl3	Se1	Cl4	97.338

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

using model chemistry: mPW1PW91/3-21G

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	1.039
2	O	-0.491
3	Cl	-0.274
4	Cl	-0.274

	x	y	z	Total
	1.909	2.760	0.000	3.356
CHELPG
AIM
ESP

	x	y	z
x	3.548	-1.595	0.000
y	-1.595	7.554	0.000
z	0.000	0.000	10.941

<r²>	218.438
(<r²>)^1/2	14.780

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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