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	hartrees
Energy at 0K	-608.618734
Energy at 298.15K	-608.619349
HF Energy	-608.618734
Nuclear repulsion energy	90.715383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1518	1501	242.21
2	A'	548	542	51.80
3	A'	323	320	21.19

Atom	x (Å)	y (Å)
Cl1	-0.558	-0.972
O2	0.000	0.927
O3	1.187	1.140

	Cl1	O2	O3
Cl1		1.9793	2.7398
O2	1.9793		1.2058
O3	2.7398	1.2058

Number	Element	Mulliken
1	Cl	-0.067
2	O	0.040
3	O	0.028

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

using model chemistry: LSDA/cc-pVDZ

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
	0.371	0.896	0.000	0.970
CHELPG
AIM
ESP

	x	y	z
x	3.413	2.277	0.000
y	2.277	5.108	0.000
z	0.000	0.000	1.263

<r²>	63.854
(<r²>)^1/2	7.991