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	hartrees
Energy at 0K	-60.516968
Energy at 298.15K	-60.518435
HF Energy	-60.516968
Nuclear repulsion energy	65.807449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1094	988	9.11
2	A	834	754	0.09
3	A	387	350	1.38
4	A	118	107	0.42
5	B	838	757	2.60
6	B	513	463	0.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.341	0.593	0.761
O2	-0.341	-0.593	0.761
Cl3	-0.341	1.647	-0.358
Cl4	0.341	-1.647	-0.358

	O1	O2	Cl3	Cl4
O1		1.3676	1.6824	2.5043
O2	1.3676		2.5043	1.6824
Cl3	1.6824	2.5043		3.3642
Cl4	2.5043	1.6824	3.3642

Number	Element	Mulliken
1	O	-0.172
2	O	-0.172
3	Cl	0.172
4	Cl	0.172

All results from a given calculation for ClOOCl (Dichlorine dioxide)

using model chemistry: HF/CEP-121G*

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
	0.000	0.000	-1.020	1.020
CHELPG
AIM
ESP

	x	y	z
x	3.209	-0.897	0.000
y	-0.897	7.068	0.000
z	0.000	0.000	3.957

<r²>	74.693
(<r²>)^1/2	8.642