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	hartrees
Energy at 0K	-610.479500
Energy at 298.15K	-610.479439
HF Energy	-610.479500
Nuclear repulsion energy	79.312664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1690	1614	92.96
2	A'	213	204	2.31
3	A'	93	89	4.38

Atom	x (Å)	y (Å)
Cl1	-0.593	-0.837
O2	0.000	0.820
O3	1.260	0.958

	Cl1	O2	O3
Cl1		1.7600	2.5799
O2	1.7600		1.2675
O3	2.5799	1.2675

Number	Element	Mulliken
1	Cl	-0.061
2	O	0.003
3	O	0.058

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

using model chemistry: wB97X-D/TZVP

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
	0.440	0.942	0.000	1.039
CHELPG
AIM
ESP

	x	y	z
x	3.299	1.925	0.000
y	1.925	5.483	0.000
z	0.000	0.000	1.440

<r²>	85.996
(<r²>)^1/2	9.273