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	hartrees
Energy at 0K	-1067.717687
Energy at 298.15K	-1067.718673
HF Energy	-1067.717687
Nuclear repulsion energy	198.223431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1232	1212	140.54
2	A	551	542	25.89
3	A	300	295	14.72
4	A	107	106	0.09
5	B	551	542	105.56
6	B	380	373	97.93

Atom	x (Å)	y (Å)	z (Å)
O1	0.308	0.533	0.887
O2	-0.308	-0.533	0.887
Cl3	-0.308	1.799	-0.418
Cl4	0.308	-1.799	-0.418

	O1	O2	Cl3	Cl4
O1		1.2317	1.9198	2.6723
O2	1.2317		2.6723	1.9198
Cl3	1.9198	2.6723		3.6507
Cl4	2.6723	1.9198	3.6507

Number	Element	Mulliken
1	O	-0.036
2	O	-0.036
3	Cl	0.036
4	Cl	0.036

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

using model chemistry: LSDA/6-311G*

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	0.418	0.418
CHELPG
AIM
ESP

	x	y	z
x	2.566	-1.616	0.000
y	-1.616	12.026	0.000
z	0.000	0.000	4.308

<r²>	160.419
(<r²>)^1/2	12.666