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	hartrees
Energy at 0K	-603.433114
Energy at 298.15K	-603.433718
HF Energy	-603.433114
Nuclear repulsion energy	88.865714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1468	1310	37.00
2	A'	607	542	34.45
3	A'	358	319	10.37

Atom	x (Å)	y (Å)
Cl1	-0.612	-0.930
O2	0.000	0.927
O3	1.300	1.050

	Cl1	O2	O3
Cl1		1.9556	2.7533
O2	1.9556		1.3063
O3	2.7533	1.3063

Number	Element	Mulliken
1	Cl	-0.143
2	O	0.092
3	O	0.051

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

using model chemistry: B3LYP/STO-3G

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
	0.827	1.401	0.000	1.626
CHELPG
AIM
ESP

	x	y	z
x	2.015	1.706	0.000
y	1.706	2.882	0.000
z	0.000	0.000	0.216

<r²>	63.026
(<r²>)^1/2	7.939