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	hartrees
Energy at 0K	-60.414179
Energy at 298.15K	-60.415445
HF Energy	-60.414179
Nuclear repulsion energy	62.637399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1030	929	10.39
2	A	755	680	3.48
3	A	342	309	1.08
4	A	99	89	0.44
5	B	753	679	13.65
6	B	450	405	2.58

Atom	x (Å)	y (Å)	z (Å)
O1	0.356	0.603	0.783
O2	-0.356	-0.603	0.783
Cl3	-0.356	1.762	-0.368
Cl4	0.356	-1.762	-0.368

	O1	O2	Cl3	Cl4
O1		1.4015	1.7824	2.6309
O2	1.4015		2.6309	1.7824
Cl3	1.7824	2.6309		3.5961
Cl4	2.6309	1.7824	3.5961

Number	Element	Mulliken
1	O	-0.232
2	O	-0.232
3	Cl	0.232
4	Cl	0.232

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

using model chemistry: HF/CEP-31G

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	-1.422	1.422
CHELPG
AIM
ESP

	x	y	z
x	2.005	-1.751	0.000
y	-1.751	8.429	0.000
z	0.000	0.000	3.247

<r²>	81.679
(<r²>)^1/2	9.038