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	hartrees
Energy at 0K	-3395.104807
Energy at 298.15K	-3395.103732
HF Energy	-3395.104807
Nuclear repulsion energy	458.340678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1038	987	83.74
2	A'	405	385	52.60
3	A'	268	255	8.33
4	A'	157	149	0.73
5	A"	377	359	121.82
6	A"	246	234	0.51

Atom	x (Å)	y (Å)	z (Å)
Se1	0.155	0.587	0.000
O2	-1.318	1.225	0.000
Cl3	0.155	-0.875	1.668
Cl4	0.155	-0.875	-1.668

	Se1	O2	Cl3	Cl4
Se1		1.6056	2.2180	2.2180
O2	1.6056		3.0600	3.0600
Cl3	2.2180	3.0600		3.3357
Cl4	2.2180	3.0600	3.3357

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.190		O2	Se1	Cl4	105.190
Cl3	Se1	Cl4	97.524

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

using model chemistry: mPW1PW91/6-31G**

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	0.716
2	O	-0.468
3	Cl	-0.124
4	Cl	-0.124

	x	y	z	Total
	2.110	0.928	0.000	2.305
CHELPG
AIM
ESP

	x	y	z
x	4.768	-1.102	0.000
y	-1.102	7.301	0.000
z	0.000	0.000	9.516

<r²>	190.569
(<r²>)^1/2	13.805

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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