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	hartrees
Energy at 0K	-610.513044
Energy at 298.15K	-610.513556
HF Energy	-610.513044
Nuclear repulsion energy	88.010352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1382	1380	242.70
2	A'	488	487	35.16
3	A'	277	276	22.02

Atom	x (Å)	y (Å)
Cl1	-0.570	-1.011
O2	0.000	0.960
O3	1.210	1.188

	Cl1	O2	O3
Cl1		2.0517	2.8292
O2	2.0517		1.2318
O3	2.8292	1.2318

Number	Element	Mulliken
1	Cl	-0.020
2	O	0.065
3	O	-0.044

All results from a given calculation for ClOO (chloroperoxy radical)

using model chemistry: BLYP/aug-cc-pVDZ

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
	0.359	0.959	0.000	1.024
CHELPG
AIM
ESP

	x	y	z
x	5.193	2.414	0.000
y	2.414	7.053	0.000
z	0.000	0.000	3.110

<r²>	67.664
(<r²>)^1/2	8.226