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	hartrees
Energy at 0K	-608.587555
Energy at 298.15K	-608.588160
Nuclear repulsion energy	90.948744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1515	1486	229.61
2	A'	547	537	51.80
3	A'	322	316	24.08

Atom	x (Å)	y (Å)
Cl1	-0.564	-0.960
O2	0.000	0.919
O3	1.198	1.122

	Cl1	O2	O3
Cl1		1.9616	2.7273
O2	1.9616		1.2151
O3	2.7273	1.2151

Number	Element	Mulliken
1	Cl	-0.018
2	O	0.001
3	O	0.017

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

using model chemistry: LSDA/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	z	Total
	0.322	0.824	0.000	0.885
CHELPG
AIM
ESP

	x	y	z
x	3.580	2.271	0.000
y	2.271	5.196	0.000
z	0.000	0.000	1.473

<r²>	0.000
(<r²>)^1/2	0.000