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	hartrees
Energy at 0K	-1245.294446
Energy at 298.15K	-1245.295537
HF Energy	-1245.294446
Nuclear repulsion energy	213.150418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	260	251	0.00
2	A_g	134	129	0.00
3	B_1u	276	267	101.11
4	B_2u	226	219	92.77
5	B_3g	231	223	0.00
6	B_3u	91	88	61.90

Atom	y (Å)	z (Å)
Na1	1.620	0.000
Na2	-1.620	0.000
Cl3	0.000	1.979
Cl4	0.000	-1.979

	Na1	Na2	Cl3	Cl4
Na1		3.2401	2.5572	2.5572
Na2	3.2401		2.5572	2.5572
Cl3	2.5572	2.5572		3.9571
Cl4	2.5572	2.5572	3.9571

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	Cl2	Na4	50.689		Na1	Cl3	Na4	39.311
Cl2	Na1	Cl3	50.689		Cl2	Na4	Cl3	39.311

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

using model chemistry: TPSSh/cc-pVTZ

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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Number	Element	Mulliken
1	Na	0.466
2	Na	0.466
3	Cl	-0.466
4	Cl	-0.466

<r²>	216.090
(<r²>)^1/2	14.700

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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