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	hartrees
Energy at 0K	-3398.451922
Energy at 298.15K	-3398.450588
HF Energy	-3398.451922
Nuclear repulsion energy	446.353275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	949	936	84.47
2	A'	343	338	42.49
3	A'	241	237	6.60
4	A'	128	126	0.55
5	A"	315	310	110.20
6	A"	217	214	0.02

Atom	x (Å)	y (Å)	z (Å)
Se1	0.153	0.591	0.000
O2	-1.298	1.301	0.000
Cl3	0.153	-0.897	1.735
Cl4	0.153	-0.897	-1.735

	Se1	O2	Cl3	Cl4
Se1		1.6158	2.2861	2.2861
O2	1.6158		3.1547	3.1547
Cl3	2.2861	3.1547		3.4709
Cl4	2.2861	3.1547	3.4709

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.633		O2	Se1	Cl4	106.633
Cl3	Se1	Cl4	98.774

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

using model chemistry: B97D3/TZVP

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	0.705
2	O	-0.369
3	Cl	-0.168
4	Cl	-0.168

	x	y	z	Total
	2.021	1.064	0.000	2.284
CHELPG
AIM
ESP

	x	y	z
x	5.197	-1.357	0.000
y	-1.357	8.047	0.000
z	0.000	0.000	10.612

<r²>	201.134
(<r²>)^1/2	14.182

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

using model chemistry: B97D3/TZVP

States and conformations

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