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	hartrees
Energy at 0K	-609.021738
Energy at 298.15K	-609.022581
HF Energy	-609.021738
Nuclear repulsion energy	98.465209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1211	1097	19.51
2	A'	743	672	11.88
3	A'	471	426	0.27

Atom	x (Å)	y (Å)
Cl1	-0.597	-0.774
O2	0.000	0.807
O3	1.269	0.838

	Cl1	O2	O3
Cl1		1.6897	2.4660
O2	1.6897		1.2690
O3	2.4660	1.2690

Number	Element	Mulliken
1	Cl	0.184
2	O	-0.148
3	O	-0.036

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

using model chemistry: HF/6-31G(2df,p)

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.338	-0.589	0.000	0.679
CHELPG
AIM
ESP

	x	y	z
x	3.588	1.247	0.000
y	1.247	3.722	0.000
z	0.000	0.000	2.048

<r²>	53.951
(<r²>)^1/2	7.345