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	hartrees
Energy at 0K	-3397.214466
Energy at 298.15K	-3397.213218
HF Energy	-3397.214466
Nuclear repulsion energy	450.545603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	974	941	89.52
2	A'	364	351	50.44
3	A'	253	244	7.94
4	A'	138	133	0.66
5	A"	334	323	123.78
6	A"	225	218	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.153	0.593	0.000
O2	-1.301	1.276	0.000
Cl3	0.153	-0.894	1.708
Cl4	0.153	-0.894	-1.708

	Se1	O2	Cl3	Cl4
Se1		1.6070	2.2648	2.2648
O2	1.6070		3.1214	3.1214
Cl3	2.2648	3.1214		3.4166
Cl4	2.2648	3.1214	3.4166

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.207		O2	Se1	Cl4	106.207
Cl3	Se1	Cl4	97.926

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

using model chemistry: B3LYP/6-311G*

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	0.793
2	O	-0.424
3	Cl	-0.185
4	Cl	-0.185

	x	y	z	Total
	2.160	1.218	0.000	2.479
CHELPG
AIM
ESP

	x	y	z
x	4.804	-1.206	0.000
y	-1.206	7.863	0.000
z	0.000	0.000	10.480

<r²>	198.062
(<r²>)^1/2	14.073

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

using model chemistry: B3LYP/6-311G*

States and conformations

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