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	hartrees
Energy at 0K	-610.467106
Energy at 298.15K	-610.467600
HF Energy	-610.467106
Nuclear repulsion energy	87.651170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1375	1368	250.90
2	A'	481	479	36.40
3	A'	271	270	22.58

Atom	x (Å)	y (Å)
Cl1	-0.574	-1.013
O2	0.000	0.962
O3	1.219	1.190

	Cl1	O2	O3
Cl1		2.0561	2.8401
O2	2.0561		1.2401
O3	2.8401	1.2401

Number	Element	Mulliken
1	Cl	-0.087
2	O	0.050
3	O	0.037

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

using model chemistry: BLYP/6-31+G**

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
	0.351	0.906	0.000	0.971
CHELPG
AIM
ESP

	x	y	z
x	4.579	2.586	-0.000
y	2.586	6.659	-0.002
z	-0.000	-0.002	2.327

<r²>	68.080
(<r²>)^1/2	8.251