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	hartrees
Energy at 0K	-1070.620746
Energy at 298.15K	-1070.621945
HF Energy	-1070.620746
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	941	941	35.69
2	A	599	599	29.19
3	A	345	345	1.96
4	A	134	134	0.39
5	B	650	650	62.31
6	B	453	453	21.12

Atom	x (Å)	y (Å)	z (Å)
O1	0.326	0.580	0.822
O2	-0.326	-0.580	0.822
Cl3	-0.326	1.693	-0.387
Cl4	0.326	-1.693	-0.387

	O1	O2	Cl3	Cl4
O1		1.3309	1.7678	2.5747
O2	1.3309		2.5747	1.7678
Cl3	1.7678	2.5747		3.4488
Cl4	2.5747	1.7678	3.4488

Number	Element	Mulliken
1	O	-0.145
2	O	-0.145
3	Cl	0.145
4	Cl	0.145

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

using model chemistry: wB97X-D/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	-0.700	0.700
CHELPG
AIM
ESP

	x	y	z
x	2.575	-1.218	0.000
y	-1.218	8.307	0.000
z	0.000	0.000	3.828

<r²>	145.952
(<r²>)^1/2	12.081