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	hartrees
Energy at 0K	-1065.167048
Energy at 298.15K	-1065.168008
HF Energy	-1064.981162
Nuclear repulsion energy	201.009992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	787	787	3.70
2	A	609	609	15.59
3	A	287	287	0.05
4	A	97	97	0.18
5	B	626	626	44.98
6	B	395	395	2.58

Atom	x (Å)	y (Å)	z (Å)
O1	0.372	0.654	0.837
O2	-0.372	-0.654	0.837
Cl3	-0.372	1.708	-0.394
Cl4	0.372	-1.708	-0.394

	O1	O2	Cl3	Cl4
O1		1.5049	1.7828	2.6637
O2	1.5049		2.6637	1.7828
Cl3	1.7828	2.6637		3.4969
Cl4	2.6637	1.7828	3.4969

Number	Element	Mulliken
1	O	-0.139
2	O	-0.139
3	Cl	0.139
4	Cl	0.139

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

using model chemistry: B2PLYP/3-21G*

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	-0.740	0.740
CHELPG
AIM
ESP

	x	y	z
x	2.582	-1.087	0.000
y	-1.087	7.474	0.000
z	0.000	0.000	3.524

<r²>	150.952
(<r²>)^1/2	12.286