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	hartrees
Energy at 0K	-1245.202779
Energy at 298.15K	-1245.203855
Nuclear repulsion energy	211.838716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	255	254	0.00
2	A_g	136	136	0.00
3	B_1u	274	274	101.94
4	B_2u	219	218	89.57
5	B_3g	228	228	0.00
6	B_3u	92	92	59.31

Atom	y (Å)	z (Å)
Na1	1.588	0.000
Cl2	0.000	2.023
Cl3	0.000	-2.023
Na4	-1.588	0.000

	Na1	Cl2	Cl3	Na4
Na1		2.5722	2.5722	3.1768
Cl2	2.5722		4.0463	2.5722
Cl3	2.5722	4.0463		2.5722
Na4	3.1768	2.5722	2.5722

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	Cl2	Na4	76.273		Na1	Cl3	Na4	76.273
Cl2	Na1	Cl3	103.727		Cl2	Na4	Cl3	103.727

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.724
2	Cl	-0.724
3	Cl	-0.724
4	Na	0.724

<r²>	219.547
(<r²>)^1/2	14.817

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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