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	hartrees
Energy at 0K	-1056.700396
Energy at 298.15K	-1056.701814
HF Energy	-1056.700396
Nuclear repulsion energy	208.178313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1364	1114	0.86
2	A	943	770	18.82
3	A	400	327	0.09
4	A	116	95	0.28
5	B	956	781	44.41
6	B	528	431	6.84

Atom	x (Å)	y (Å)	z (Å)
O1	0.357	0.591	0.812
O2	-0.357	-0.591	0.812
Cl3	-0.357	1.659	-0.382
Cl4	0.357	-1.659	-0.382

	O1	O2	Cl3	Cl4
O1		1.3800	1.7541	2.5467
O2	1.3800		2.5467	1.7541
Cl3	1.7541	2.5467		3.3938
Cl4	2.5467	1.7541	3.3938

Number	Element	Mulliken
1	O	0.008
2	O	0.008
3	Cl	-0.008
4	Cl	-0.008

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

using model chemistry: HF/STO-3G

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	0.491	0.491
CHELPG
AIM
ESP

	x	y	z
x	0.883	-1.056	0.000
y	-1.056	4.740	0.000
z	0.000	0.000	1.831

<r²>	141.586
(<r²>)^1/2	11.899