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	hartrees
Energy at 0K	-1067.759630
Energy at 298.15K	-1067.760695
HF Energy	-1067.759630
Nuclear repulsion energy	204.887779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1060	1049	75.98
2	A	543	538	28.00
3	A	308	305	13.65
4	A	120	119	0.55
5	B	593	587	95.38
6	B	416	412	78.27

Atom	x (Å)	y (Å)	z (Å)
O1	0.310	0.554	0.859
O2	-0.310	-0.554	0.859
Cl3	-0.310	1.715	-0.404
Cl4	0.310	-1.715	-0.404

	O1	O2	Cl3	Cl4
O1		1.2709	1.8236	2.5967
O2	1.2709		2.5967	1.8236
Cl3	1.8236	2.5967		3.4851
Cl4	2.5967	1.8236	3.4851

Number	Element	Mulliken
1	O	-0.016
2	O	-0.016
3	Cl	0.016
4	Cl	0.016

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

using model chemistry: SVWN/cc-pVTZ

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	0.004	0.004
CHELPG
AIM
ESP

	x	y	z
x	3.615	-1.275	0.000
y	-1.275	10.973	0.000
z	0.000	0.000	4.912

<r²>	148.883
(<r²>)^1/2	12.202