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	hartrees
Energy at 0K	-1245.243722
Energy at 298.15K	-1245.244844
Nuclear repulsion energy	213.647495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	262	251	0.00
2	A_g	137	132	0.00
3	B_1u	281	269	109.98
4	B_2u	228	219	96.49
5	B_3g	235	226	0.00
6	B_3u	93	89	64.30

Atom	y (Å)	z (Å)
Na1	1.592	0.000
Cl2	0.000	1.993
Cl3	0.000	-1.993
Na4	-1.592	0.000

	Na1	Cl2	Cl3	Na4
Na1		2.5509	2.5509	3.1840
Cl2	2.5509		3.9862	2.5509
Cl3	2.5509	3.9862		2.5509
Na4	3.1840	2.5509	2.5509

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	Cl2	Na4	77.232		Na1	Cl3	Na4	77.232
Cl2	Na1	Cl3	102.768		Cl2	Na4	Cl3	102.768

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

using model chemistry: mPW1PW91/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	0.789
2	Cl	-0.789
3	Cl	-0.789
4	Na	0.789

<r²>	215.052
(<r²>)^1/2	14.665

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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