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	hartrees
Energy at 0K	-3394.815221
Energy at 298.15K	-3394.814110
HF Energy	-3394.815221
Nuclear repulsion energy	456.152816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1025	983	79.56
2	A'	398	381	50.11
3	A'	262	251	7.87
4	A'	152	146	0.69
5	A"	370	354	119.88
6	A"	242	232	0.37

Atom	x (Å)	y (Å)	z (Å)
Se1	0.155	0.586	0.000
O2	-1.318	1.236	0.000
Cl3	0.155	-0.877	1.681
Cl4	0.155	-0.877	-1.681

	Se1	O2	Cl3	Cl4
Se1		1.6102	2.2287	2.2287
O2	1.6102		3.0761	3.0761
Cl3	2.2287	3.0761		3.3615
Cl4	2.2287	3.0761	3.3615

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.370		O2	Se1	Cl4	105.370
Cl3	Se1	Cl4	97.899

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

using model chemistry: B3PW91/6-31G**

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	0.709
2	O	-0.454
3	Cl	-0.127
4	Cl	-0.127

	x	y	z	Total
	2.058	0.973	0.000	2.276
CHELPG
AIM
ESP

	x	y	z
x	4.795	-1.123	0.000
y	-1.123	7.363	0.000
z	0.000	0.000	9.678

<r²>	192.365
(<r²>)^1/2	13.870

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

using model chemistry: B3PW91/6-31G**

States and conformations

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