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	hartrees
Energy at 0K	-607.546183
Energy at 298.15K	-607.546716
HF Energy	-607.546183
Nuclear repulsion energy	90.191612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1125	1075	70.99
2	A'	523	499	61.24
3	A'	294	281	35.96

Atom	x (Å)	y (Å)
Cl1	-0.628	-0.881
O2	0.000	0.894
O3	1.334	0.978

	Cl1	O2	O3
Cl1		1.8824	2.7028
O2	1.8824		1.3370
O3	2.7028	1.3370

Number	Element	Mulliken
1	Cl	0.049
2	O	-0.044
3	O	-0.005

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

using model chemistry: B1B95/3-21G*

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
	0.020	0.046	0.000	0.050
CHELPG
AIM
ESP

	x	y	z
x	3.678	2.107	0.000
y	2.107	4.082	0.000
z	0.000	0.000	1.081

<r²>	62.138
(<r²>)^1/2	7.883