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	hartrees
Energy at 0K	-61.588385
Energy at 298.15K	-61.589614
HF Energy	-61.588385
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	906	906	20.84
2	A	658	658	15.14
3	A	339	339	0.00
4	A	126	126	0.21
5	B	695	695	39.14
6	B	459	459	5.07

Atom	x (Å)	y (Å)	z (Å)
O1	0.334	0.602	0.815
O2	-0.334	-0.602	0.815
Cl3	-0.334	1.674	-0.384
Cl4	0.334	-1.674	-0.384

	O1	O2	Cl3	Cl4
O1		1.3768	1.7418	2.5722
O2	1.3768		2.5722	1.7418
Cl3	1.7418	2.5722		3.4140
Cl4	2.5722	1.7418	3.4140

Number	Element	Mulliken
1	O	-0.127
2	O	-0.127
3	Cl	0.127
4	Cl	0.127

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

using model chemistry: wB97X-D/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	-0.741	0.741
CHELPG
AIM
ESP

	x	y	z
x	3.340	-1.018	0.000
y	-1.018	8.173	0.000
z	0.000	0.000	4.352

<r²>	77.158
(<r²>)^1/2	8.784