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	hartrees
Energy at 0K	-1070.111311
Energy at 298.15K	-1070.112218
HF Energy	-1070.111311
Nuclear repulsion energy	194.747514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1149	1136	118.31
2	A	532	526	20.18
3	A	279	275	11.73
4	A	113	111	0.22
5	B	529	523	84.26
6	B	356	352	90.20

Atom	x (Å)	y (Å)	z (Å)
O1	0.319	0.546	0.877
O2	-0.319	-0.546	0.877
Cl3	-0.319	1.847	-0.413
Cl4	0.319	-1.847	-0.413

	O1	O2	Cl3	Cl4
O1		1.2642	1.9400	2.7180
O2	1.2642		2.7180	1.9400
Cl3	1.9400	2.7180		3.7477
Cl4	2.7180	1.9400	3.7477

Number	Element	Mulliken
1	O	0.015
2	O	0.015
3	Cl	-0.015
4	Cl	-0.015

All results from a given calculation for ClOOCl (Dichlorine dioxide)

using model chemistry: PBEPBEultrafine/6-31+G**

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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	x	y	z	Total
	0.000	0.000	0.455	0.455
CHELPG
AIM
ESP

	x	y	z
x	4.160	-1.611	0.000
y	-1.611	13.404	0.000
z	0.000	0.000	5.572

<r²>	166.196
(<r²>)^1/2	12.892