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	hartrees
Energy at 0K	-607.440613
Energy at 298.15K	-607.440751
HF Energy	-607.440613
Nuclear repulsion energy	83.298578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1285	1240	76.13
2	A'	335	323	4.42
3	A'	128	124	6.60

Atom	x (Å)	y (Å)
Cl1	-0.607	-1.060
O2	0.000	1.030
O3	1.289	1.223

	Cl1	O2	O3
Cl1		2.1764	2.9679
O2	2.1764		1.3035
O3	2.9679	1.3035

Number	Element	Mulliken
1	Cl	-0.092
2	O	0.042
3	O	0.050

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

using model chemistry: B3LYP/3-21G

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
	0.624	1.099	0.000	1.264
CHELPG
AIM
ESP

	x	y	z
x	3.180	2.415	0.000
y	2.415	4.817	0.000
z	0.000	0.000	0.649

<r²>	73.081
(<r²>)^1/2	8.549