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	hartrees
Energy at 0K	-1070.532387
Energy at 298.15K	-1070.533620
HF Energy	-1070.532387
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	930	882	25.64
2	A	636	603	22.61
3	A	353	334	0.57
4	A	130	124	0.25
5	B	683	648	50.33
6	B	465	441	11.37

Atom	x (Å)	y (Å)	z (Å)
O1	0.314	0.605	0.683
O2	-0.314	-0.605	0.683
Cl3	-0.314	1.643	-0.321
Cl4	0.314	-1.643	-0.321

	O1	O2	Cl3	Cl4
O1		1.3636	1.5749	2.4620
O2	1.3636		2.4620	1.5749
Cl3	1.5749	2.4620		3.3447
Cl4	2.4620	1.5749	3.3447

Number	Element	Mulliken
1	O	-0.186
2	O	-0.186
3	Cl	0.186
4	Cl	0.186

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

using model chemistry: wB97X-D/6-31G*

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	-0.654	0.654
CHELPG
AIM
ESP

	x	y	z
x	2.849	-1.058	0.000
y	-1.058	7.843	0.000
z	0.000	0.000	3.885

<r²>	143.345
(<r²>)^1/2	11.973