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	hartrees
Energy at 0K	-603.483672
Energy at 298.15K	-603.484286
HF Energy	-603.483672
Nuclear repulsion energy	89.441123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1514	1337	41.23
2	A'	612	540	36.57
3	A'	363	320	11.60

Atom	x (Å)	y (Å)
Cl1	-0.606	-0.928
O2	0.000	0.921
O3	1.288	1.050

	Cl1	O2	O3
Cl1		1.9455	2.7382
O2	1.9455		1.2943
O3	2.7382	1.2943

Number	Element	Mulliken
1	Cl	-0.148
2	O	0.097
3	O	0.051

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

using model chemistry: B1B95/STO-3G

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
	0.843	1.455	0.000	1.682
CHELPG
AIM
ESP

	x	y	z
x	1.980	1.686	0.000
y	1.686	2.857	0.000
z	0.000	0.000	0.215

<r²>	62.480
(<r²>)^1/2	7.904