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	hartrees
Energy at 0K	-1070.624768
Energy at 298.15K	-1070.625616
HF Energy	-1070.624768
Nuclear repulsion energy	193.698948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1098	1092	90.09
2	A	517	514	15.52
3	A	267	265	11.31
4	A	107	106	0.16
5	B	517	514	70.55
6	B	347	345	82.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.322	0.547	0.876
O2	-0.322	-0.547	0.876
Cl3	-0.322	1.861	-0.412
Cl4	0.322	-1.861	-0.412

	O1	O2	Cl3	Cl4
O1		1.2690	1.9499	2.7307
O2	1.2690		2.7307	1.9499
Cl3	1.9499	2.7307		3.7778
Cl4	2.7307	1.9499	3.7778

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: BLYP/6-31G(2df,p)

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	0.525	0.525
CHELPG
AIM
ESP

	x	y	z
x	3.865	-1.494	0.000
y	-1.494	12.777	0.000
z	0.000	0.000	5.115

<r²>	167.547
(<r²>)^1/2	12.944