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	hartrees
Energy at 0K	-1070.273714
Energy at 298.15K	-1070.274604
HF Energy	-1070.033949
Nuclear repulsion energy	201.772548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	907	907	59.37
2	A	508	508	34.55
3	A	244	244	23.52
4	A	122	122	2.92
5	B	578	578	65.93
6	B	386	386	67.69

Atom	x (Å)	y (Å)	z (Å)
O1	0.325	0.569	0.852
O2	-0.325	-0.569	0.852
Cl3	-0.325	1.747	-0.401
Cl4	0.325	-1.747	-0.401

	O1	O2	Cl3	Cl4
O1		1.3114	1.8389	2.6338
O2	1.3114		2.6338	1.8389
Cl3	1.8389	2.6338		3.5546
Cl4	2.6338	1.8389	3.5546

Number	Element	Mulliken
1	O	-0.110
2	O	-0.110
3	Cl	0.110
4	Cl	0.110

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

using model chemistry: B2PLYP/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	-0.400	0.400
CHELPG
AIM
ESP

	x	y	z
x	2.575	-1.398	0.000
y	-1.398	9.734	0.000
z	0.000	0.000	4.072

<r²>	153.523
(<r²>)^1/2	12.390