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	hartrees
Energy at 0K	-1058.642443
Energy at 298.15K	-1058.643696
HF Energy	-1058.642443
Nuclear repulsion energy	204.348169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1166	1166	5.57
2	A	813	813	16.34
3	A	362	362	0.26
4	A	119	119	0.41
5	B	831	831	50.01
6	B	485	485	10.25

Atom	x (Å)	y (Å)	z (Å)
O1	0.353	0.597	0.864
O2	-0.353	-0.597	0.864
Cl3	-0.353	1.669	-0.407
Cl4	0.353	-1.669	-0.407

	O1	O2	Cl3	Cl4
O1		1.3867	1.8063	2.5977
O2	1.3867		2.5977	1.8063
Cl3	1.8063	2.5977		3.4112
Cl4	2.5977	1.8063	3.4112

Number	Element	Mulliken
1	O	0.033
2	O	0.033
3	Cl	-0.033
4	Cl	-0.033

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

using model chemistry: M06-2X/STO-3G

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	0.763	0.763
CHELPG
AIM
ESP

	x	y	z
x	0.832	-0.953	0.000
y	-0.953	4.854	0.000
z	0.000	0.000	1.971

<r²>	144.617
(<r²>)^1/2	12.026