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	hartrees
Energy at 0K	-3395.299002
Energy at 298.15K	-3395.297969
HF Energy	-3395.299002
Nuclear repulsion energy	465.615784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1079	1030	81.10
2	A'	413	394	50.79
3	A'	281	269	6.36
4	A'	156	149	0.34
5	A"	384	367	115.11
6	A"	245	233	0.47

Atom	x (Å)	y (Å)	z (Å)
Se1	0.152	0.574	0.000
O2	-1.290	1.232	0.000
Cl3	0.152	-0.863	1.640
Cl4	0.152	-0.863	-1.640

	Se1	O2	Cl3	Cl4
Se1		1.5847	2.1802	2.1802
O2	1.5847		3.0259	3.0259
Cl3	2.1802	3.0259		3.2794
Cl4	2.1802	3.0259	3.2794

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.885		O2	Se1	Cl4	105.885
Cl3	Se1	Cl4	97.545

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.786
2	O	-0.426
3	Cl	-0.180
4	Cl	-0.180

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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