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	hartrees
Energy at 0K	-609.120240
Energy at 298.15K	-609.121106
HF Energy	-609.120240
Nuclear repulsion energy	98.803022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1210	1099	20.25
2	A'	776	705	6.66
3	A'	480	436	0.02

Atom	x (Å)	y (Å)
Cl1	-0.598	-0.769
O2	0.000	0.799
O3	1.270	0.834

	Cl1	O2	O3
Cl1		1.6775	2.4611
O2	1.6775		1.2704
O3	2.4611	1.2704

Number	Element	Mulliken
1	Cl	0.133
2	O	-0.101
3	O	-0.033

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

using model chemistry: HF/cc-pVQZ

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
	-0.391	-0.615	0.000	0.728
CHELPG
AIM
ESP

	x	y	z
x	3.911	1.234	0.000
y	1.234	3.969	0.000
z	0.000	0.000	2.285

<r²>	53.798
(<r²>)^1/2	7.335