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	hartrees
Energy at 0K	-610.534866
Energy at 298.15K	-610.535336
HF Energy	-610.534866
Nuclear repulsion energy	86.813762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1402	1396	263.64
2	A'	461	459	31.75
3	A'	262	261	20.39

Atom	x (Å)	y (Å)
Cl1	-0.564	-1.044
O2	0.000	0.987
O3	1.199	1.232

	Cl1	O2	O3
Cl1		2.1083	2.8789
O2	2.1083		1.2235
O3	2.8789	1.2235

Number	Element	Mulliken
1	Cl	-0.084
2	O	0.037
3	O	0.047

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

using model chemistry: BLYP/6-311G**

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
	0.605	1.303	0.000	1.437
CHELPG
AIM
ESP

	x	y	z
x	3.549	2.650	0.000
y	2.650	6.024	0.000
z	0.000	0.000	1.208

<r²>	69.765
(<r²>)^1/2	8.353