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	hartrees
Energy at 0K	-1067.614419
Energy at 298.15K	-1067.615465
HF Energy	-1067.614419
Nuclear repulsion energy	201.544046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1177	1155	100.31
2	A	559	548	26.62
3	A	313	307	12.91
4	A	117	115	0.16
5	B	576	565	99.61
6	B	403	395	85.13

Atom	x (Å)	y (Å)	z (Å)
O1	0.312	0.547	0.872
O2	-0.312	-0.547	0.872
Cl3	-0.312	1.753	-0.410
Cl4	0.312	-1.753	-0.410

	O1	O2	Cl3	Cl4
O1		1.2595	1.8680	2.6333
O2	1.2595		2.6333	1.8680
Cl3	1.8680	2.6333		3.5613
Cl4	2.6333	1.8680	3.5613

Number	Element	Mulliken
1	O	-0.071
2	O	-0.071
3	Cl	0.071
4	Cl	0.071

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

using model chemistry: LSDA/6-31G*

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	0.267	0.267
CHELPG
AIM
ESP

	x	y	z
x	2.841	-1.363	0.000
y	-1.363	10.775	0.000
z	0.000	0.000	4.286

<r²>	153.817
(<r²>)^1/2	12.402