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	hartrees
Energy at 0K	-3397.345427
Energy at 298.15K	-3397.344228
HF Energy	-3397.345427
Nuclear repulsion energy	454.760001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1004	972	96.21
2	A'	370	358	47.54
3	A'	258	250	5.90
4	A'	139	135	0.29
5	A"	342	331	110.91
6	A"	230	222	0.04

Atom	x (Å)	y (Å)	z (Å)
Se1	0.153	0.582	0.000
O2	-1.301	1.268	0.000
Cl3	0.153	-0.881	1.695
Cl4	0.153	-0.881	-1.695

	Se1	O2	Cl3	Cl4
Se1		1.6080	2.2390	2.2390
O2	1.6080		3.0995	3.0995
Cl3	2.2390	3.0995		3.3893
Cl4	2.2390	3.0995	3.3893

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.191		O2	Se1	Cl4	106.191
Cl3	Se1	Cl4	98.376

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	1.296
2	O	-0.750
3	Cl	-0.273
4	Cl	-0.273

	x	y	z	Total
	2.154	0.589	0.000	2.233
CHELPG
AIM
ESP

	x	y	z
x	7.544	-1.152	0.000
y	-1.152	9.756	0.000
z	0.000	0.000	12.045

<r²>	194.089
(<r²>)^1/2	13.932

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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