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	hartrees
Energy at 0K	-1068.480791
Energy at 298.15K	-1068.482248
HF Energy	-1068.480791
Nuclear repulsion energy	213.000870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1055	958	11.32
2	A	806	732	0.80
3	A	389	353	1.08
4	A	119	108	0.52
5	B	807	733	5.39
6	B	516	468	0.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.339	0.586	0.766
O2	-0.339	-0.586	0.766
Cl3	-0.339	1.650	-0.360
Cl4	0.339	-1.650	-0.360

	O1	O2	Cl3	Cl4
O1		1.3546	1.6910	2.5040
O2	1.3546		2.5040	1.6910
Cl3	1.6910	2.5040		3.3688
Cl4	2.5040	1.6910	3.3688

Number	Element	Mulliken
1	O	-0.200
2	O	-0.200
3	Cl	0.200
4	Cl	0.200

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

using model chemistry: HF/cc-pVDZ

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	-1.171	1.171
CHELPG
AIM
ESP

	x	y	z
x	2.635	-0.962	0.000
y	-0.962	6.606	0.000
z	0.000	0.000	3.449

<r²>	139.059
(<r²>)^1/2	11.792