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	hartrees
Energy at 0K	-1070.553374
Energy at 298.15K	-1070.554637
HF Energy	-1070.553374
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	918	918	17.18
2	A	640	640	13.84
3	A	356	356	0.12
4	A	130	130	0.21
5	B	695	695	36.06
6	B	474	474	6.49

Atom	x (Å)	y (Å)	z (Å)
O1	0.328	0.592	0.807
O2	-0.328	-0.592	0.807
Cl3	-0.328	1.656	-0.380
Cl4	0.328	-1.656	-0.380

	O1	O2	Cl3	Cl4
O1		1.3533	1.7236	2.5417
O2	1.3533		2.5417	1.7236
Cl3	1.7236	2.5417		3.3753
Cl4	2.5417	1.7236	3.3753

Number	Element	Mulliken
1	O	-0.100
2	O	-0.100
3	Cl	0.100
4	Cl	0.100

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.540	0.540
CHELPG
AIM
ESP

	x	y	z
x	3.698	-0.939	0.000
y	-0.939	8.264	0.000
z	0.000	0.000	4.514

<r²>	140.733
(<r²>)^1/2	11.863