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	hartrees
Energy at 0K	-609.105095
Energy at 298.15K	-609.105964
HF Energy	-609.105095
Nuclear repulsion energy	98.788561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1202	1094	21.31
2	A'	780	710	6.21
3	A'	481	438	0.04

Atom	x (Å)	y (Å)
Cl1	-0.599	-0.766
O2	0.000	0.799
O3	1.273	0.830

	Cl1	O2	O3
Cl1		1.6756	2.4605
O2	1.6756		1.2737
O3	2.4605	1.2737

Number	Element	Mulliken
1	Cl	0.113
2	O	-0.087
3	O	-0.026

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

using model chemistry: HF/cc-pV(T+d)Z

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
	-0.389	-0.667	0.000	0.773
CHELPG
AIM
ESP

	x	y	z
x	3.573	1.249	0.000
y	1.249	3.618	0.000
z	0.000	0.000	1.870

<r²>	53.736
(<r²>)^1/2	7.331