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	hartrees
Energy at 0K	-609.003188
Energy at 298.15K	-609.003998
HF Energy	-609.003188
Nuclear repulsion energy	97.667071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1192	1071	24.25
2	A'	715	642	18.30
3	A'	453	407	1.57

Atom	x (Å)	y (Å)
Cl1	-0.601	-0.781
O2	0.000	0.815
O3	1.278	0.844

	Cl1	O2	O3
Cl1		1.7051	2.4845
O2	1.7051		1.2783
O3	2.4845	1.2783

Number	Element	Mulliken
1	Cl	0.248
2	O	-0.245
3	O	-0.004

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

using model chemistry: HF/6-31G*

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	Total
	-0.312	-0.712	0.778
CHELPG	-0.301	-0.566	0.641
AIM	0.178	0.522	0.552
ESP	-0.273	-0.570	0.633

	x	y	z
x	3.202	1.377	0.000
y	1.377	3.440	0.000
z	0.000	0.000	1.458

<r²>	54.672
(<r²>)^1/2	7.394