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	hartrees
Energy at 0K	-1070.588614
Energy at 298.15K	-1070.589891
HF Energy	-1070.588614
Nuclear repulsion energy	210.009465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	916	916	19.13
2	A	665	665	11.99
3	A	361	361	0.07
4	A	126	126	0.41
5	B	694	694	31.86
6	B	469	469	3.62

Atom	x (Å)	y (Å)	z (Å)
O1	0.331	0.594	0.818
O2	-0.331	-0.594	0.818
Cl3	-0.331	1.650	-0.385
Cl4	0.331	-1.650	-0.385

	O1	O2	Cl3	Cl4
O1		1.3604	1.7312	2.5462
O2	1.3604		2.5462	1.7312
Cl3	1.7312	2.5462		3.3655
Cl4	2.5462	1.7312	3.3655

Number	Element	Mulliken
1	O	-0.179
2	O	-0.179
3	Cl	0.179
4	Cl	0.179

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

using model chemistry: M06-2X/6-311G**

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	-0.954	0.954
CHELPG
AIM
ESP

	x	y	z
x	2.584	-1.055	0.000
y	-1.055	7.296	0.000
z	0.000	0.000	3.722

<r²>	141.350
(<r²>)^1/2	11.889