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	hartrees
Energy at 0K	-610.522058
Energy at 298.15K	-610.522168
HF Energy	-610.522058
Nuclear repulsion energy	83.663521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1671	1603	173.73
2	A'	305	292	0.24
3	A'	122	117	0.63

Atom	x (Å)	y (Å)
Cl1	-0.543	-1.149
O2	0.000	1.090
O3	1.154	1.352

	Cl1	O2	O3
Cl1		2.3033	3.0224
O2	2.3033		1.1839
O3	3.0224	1.1839

Number	Element	Mulliken
1	Cl	-0.114
2	O	0.044
3	O	0.070

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

using model chemistry: mPW1PW91/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
	0.606	1.319	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	3.876	2.159	0.000
y	2.159	6.185	0.000
z	0.000	0.000	1.966

<r²>	76.146
(<r²>)^1/2	8.726