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	hartrees
Energy at 0K	-1242.938426
Energy at 298.15K	-1242.939581
HF Energy	-1242.938426
Nuclear repulsion energy	214.451874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	274	269	0.00
2	A_g	132	130	0.00
3	B_1u	292	287	112.75
4	B_2u	241	237	106.90
5	B_3g	248	243	0.00
6	B_3u	95	94	76.86

Atom	y (Å)	z (Å)
Na1	1.626	0.000
Cl2	0.000	1.955
Cl3	0.000	-1.955
Na4	-1.626	0.000

	Na1	Cl2	Cl3	Na4
Na1		2.5430	2.5430	3.2523
Cl2	2.5430		3.9102	2.5430
Cl3	2.5430	3.9102		2.5430
Na4	3.2523	2.5430	2.5430

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	Cl2	Na4	79.504		Na1	Cl3	Na4	79.504
Cl2	Na1	Cl3	100.496		Cl2	Na4	Cl3	100.496

All results from a given calculation for Na₂Cl₂ (Disodium dichloride)

using model chemistry: PBEPBEultrafine/6-31G*

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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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
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Number	Element	Mulliken
1	Na	0.760
2	Cl	-0.760
3	Cl	-0.760
4	Na	0.760

<r²>	212.806
(<r²>)^1/2	14.588

All results from a given calculation for Na2Cl2 (Disodium dichloride)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for Na₂Cl₂ (Disodium dichloride)