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	hartrees
Energy at 0K	-1070.347792
Energy at 298.15K	-1070.342238
HF Energy	-1070.642508
Nuclear repulsion energy	205.971254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	894	863	26.31
2	A	548	529	23.35
3	A	318	307	4.10
4	A	129	125	0.34
5	B	622	601	58.99
6	B	435	419	27.88

Atom	x (Å)	y (Å)	z (Å)
O1	0.326	0.585	0.826
O2	-0.326	-0.585	0.826
Cl3	-0.326	1.704	-0.389
Cl4	0.326	-1.704	-0.389

	O1	O2	Cl3	Cl4
O1		1.3388	1.7759	2.5911
O2	1.3388		2.5911	1.7759
Cl3	1.7759	2.5911		3.4708
Cl4	2.5911	1.7759	3.4708

Number	Element	Mulliken
1	O	-0.078
2	O	-0.078
3	Cl	0.078
4	Cl	0.078

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

using model chemistry: G4

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	-0.348	0.348
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	146.966
(<r²>)^1/2	12.123