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	hartrees
Energy at 0K	-1070.718402
Energy at 298.15K	-1070.719397
HF Energy	-1070.718402
Nuclear repulsion energy	200.730352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	971	938	75.40
2	A	534	516	34.59
3	A	290	280	15.44
4	A	124	120	0.88
5	B	577	558	81.88
6	B	396	383	69.88

Atom	x (Å)	y (Å)	z (Å)
O1	0.323	0.562	0.852
O2	-0.323	-0.562	0.852
Cl3	-0.323	1.767	-0.401
Cl4	0.323	-1.767	-0.401

	O1	O2	Cl3	Cl4
O1		1.2961	1.8545	2.6447
O2	1.2961		2.6447	1.8545
Cl3	1.8545	2.6447		3.5934
Cl4	2.6447	1.8545	3.5934

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: B3LYP/6-311G**

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	-0.260	0.260
CHELPG
AIM
ESP

	x	y	z
x	2.606	-1.504	0.000
y	-1.504	10.361	0.000
z	0.000	0.000	4.107

<r²>	155.726
(<r²>)^1/2	12.479