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	hartrees
Energy at 0K	-1058.586904
Energy at 298.15K	-1058.588111
HF Energy	-1058.586904
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1176	1176	8.97
2	A	752	752	18.94
3	A	362	362	1.02
4	A	129	129	0.36
5	B	766	766	70.48
6	B	469	469	14.62

Atom	x (Å)	y (Å)	z (Å)
O1	0.353	0.592	0.855
O2	-0.353	-0.592	0.855
Cl3	-0.353	1.737	-0.402
Cl4	0.353	-1.737	-0.402

	O1	O2	Cl3	Cl4
O1		1.3786	1.8408	2.6470
O2	1.3786		2.6470	1.8408
Cl3	1.8408	2.6470		3.5453
Cl4	2.6470	1.8408	3.5453

Number	Element	Mulliken
1	O	0.047
2	O	0.047
3	Cl	-0.047
4	Cl	-0.047

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

using model chemistry: wB97X-D/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	0.849	0.849
CHELPG
AIM
ESP

	x	y	z
x	0.846	-1.091	0.000
y	-1.091	5.757	0.000
z	0.000	0.000	1.978

<r²>	152.076
(<r²>)^1/2	12.332