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	hartrees
Energy at 0K	-610.562477
Energy at 298.15K	-610.562596
HF Energy	-610.562477
Nuclear repulsion energy	84.004320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1585	1532	199.21
2	A'	320	309	0.19
3	A'	118	114	0.34

Atom	x (Å)	y (Å)
Cl1	-0.549	-1.131
O2	0.000	1.073
O3	1.167	1.331

	Cl1	O2	O3
Cl1		2.2715	3.0009
O2	2.2715		1.1951
O3	3.0009	1.1951

Number	Element	Mulliken
1	Cl	-0.119
2	O	0.052
3	O	0.067

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

using model chemistry: B3LYP/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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	x	y	z	Total
	0.618	1.361	0.000	1.495
CHELPG
AIM
ESP	0.813	1.937	0.000	2.100

	x	y	z
x	3.950	2.273	-0.000
y	2.273	6.355	0.000
z	-0.000	0.000	1.958

<r²>	75.173
(<r²>)^1/2	8.670