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	hartrees
Energy at 0K	-1245.250872
Energy at 298.15K	-1245.251895
HF Energy	-1245.250872
Nuclear repulsion energy	209.959940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	246	242	0.00
2	A_g	130	128	0.00
3	B_1u	269	265	101.57
4	B_2u	212	209	92.16
5	B_3g	222	218	0.00
6	B_3u	90	88	61.53

Atom	y (Å)	z (Å)
Na1	1.625	0.000
Na2	-1.625	0.000
Cl3	0.000	2.024
Cl4	0.000	-2.024

	Na1	Na2	Cl3	Cl4
Na1		3.2499	2.5958	2.5958
Na2	3.2499		2.5958	2.5958
Cl3	2.5958	2.5958		4.0487
Cl4	2.5958	2.5958	4.0487

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	Cl2	Na4	51.245		Na1	Cl3	Na4	38.755
Cl2	Na1	Cl3	51.245		Cl2	Na4	Cl3	38.755

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

using model chemistry: B97D3/aug-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	0.758
2	Na	0.758
3	Cl	-0.758
4	Cl	-0.758

<r²>	221.796
(<r²>)^1/2	14.893

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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