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	hartrees
Energy at 0K	-61.511829
Energy at 298.15K	-61.512886
HF Energy	-61.511829
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	888	888	33.65
2	A	610	610	21.36
3	A	316	316	0.22
4	A	109	109	0.12
5	B	626	626	59.89
6	B	408	408	7.71

Atom	x (Å)	y (Å)	z (Å)
O1	0.344	0.605	0.859
O2	-0.344	-0.605	0.859
Cl3	-0.344	1.792	-0.404
Cl4	0.344	-1.792	-0.404

	O1	O2	Cl3	Cl4
O1		1.3914	1.8652	2.7096
O2	1.3914		2.7096	1.8652
Cl3	1.8652	2.7096		3.6502
Cl4	2.7096	1.8652	3.6502

Number	Element	Mulliken
1	O	-0.149
2	O	-0.149
3	Cl	0.149
4	Cl	0.149

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

using model chemistry: wB97X-D/CEP-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	-0.807	0.807
CHELPG
AIM
ESP

	x	y	z
x	1.833	-1.676	0.000
y	-1.676	9.230	0.000
z	0.000	0.000	3.640

<r²>	84.788
(<r²>)^1/2	9.208