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	hartrees
Energy at 0K	-178.838304
Energy at 298.15K	-178.839562
HF Energy	-178.838304
Nuclear repulsion energy	87.396257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1009	908	10.77
2	A	731	658	4.21
3	A	346	312	0.61
4	A	101	91	0.34
5	B	735	661	15.47
6	B	457	412	1.69

Atom	x (Å)	y (Å)	z (Å)
O1	0.354	0.604	0.795
O2	-0.354	-0.604	0.795
Cl3	-0.354	1.743	-0.374
Cl4	0.354	-1.743	-0.374

	O1	O2	Cl3	Cl4
O1		1.3997	1.7794	2.6221
O2	1.3997		2.6221	1.7794
Cl3	1.7794	2.6221		3.5568
Cl4	2.6221	1.7794	3.5568

Number	Element	Mulliken
1	O	-0.223
2	O	-0.223
3	Cl	0.223
4	Cl	0.223

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

using model chemistry: HF/LANL2DZ

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	-1.316	1.316
CHELPG
AIM
ESP

	x	y	z
x	1.865	-1.645	0.000
y	-1.645	7.828	0.000
z	0.000	0.000	3.212

<r²>	85.312
(<r²>)^1/2	9.236