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	hartrees
Energy at 0K	-113.127024
Energy at 298.15K	-113.125718
HF Energy	-113.127024
Nuclear repulsion energy	60.399187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	756	680	68.39
2	A'	368	331	37.29
3	A'	239	216	22.35
4	A'	146	131	2.31
5	A"	369	332	67.23
6	A"	209	188	3.04

Atom	x (Å)	y (Å)	z (Å)
Se1	0.163	0.620	0.000
O2	-1.384	1.275	0.000
Cl3	0.163	-0.920	1.727
Cl4	0.163	-0.920	-1.727

	Se1	O2	Cl3	Cl4
Se1		1.6800	2.3139	2.3139
O2	1.6800		3.1926	3.1926
Cl3	2.3139	3.1926		3.4550
Cl4	2.3139	3.1926	3.4550

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.032		O2	Se1	Cl4	105.032
Cl3	Se1	Cl4	96.590

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

using model chemistry: HF/LANL2DZ

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	1.146
2	O	-0.684
3	Cl	-0.231
4	Cl	-0.231

	x	y	z	Total
	3.616	1.281	0.000	3.837
CHELPG
AIM
ESP

	x	y	z
x	3.441	-1.874	0.000
y	-1.874	7.496	0.000
z	0.000	0.000	10.712

<r²>	114.728
(<r²>)^1/2	10.711

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

using model chemistry: HF/LANL2DZ

States and conformations

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