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	hartrees
Energy at 0K	-1245.005686
Energy at 298.15K	-1245.006798
Nuclear repulsion energy	214.415845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	263	253	0.00
2	A_g	133	128	0.00
3	B_1u	287	276	95.13
4	B_2u	229	220	93.82
5	B_3g	237	227	0.00
6	B_3u	92	88	61.45

Atom	y (Å)	z (Å)
Na1	1.577	0.000
Cl2	0.000	1.993
Cl3	0.000	-1.993
Na4	-1.577	0.000

	Na1	Cl2	Cl3	Na4
Na1		2.5415	2.5415	3.1548
Cl2	2.5415		3.9854	2.5415
Cl3	2.5415	3.9854		2.5415
Na4	3.1548	2.5415	2.5415

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	Cl2	Na4	76.730		Na1	Cl3	Na4	76.730
Cl2	Na1	Cl3	103.270		Cl2	Na4	Cl3	103.270

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

using model chemistry: B3PW91/6-31G(2df,p)

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	0.546
2	Cl	-0.546
3	Cl	-0.546
4	Na	0.546

<r²>	213.739
(<r²>)^1/2	14.620

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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