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	hartrees
Energy at 0K	-1242.952738
Energy at 298.15K	-1242.953821
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	256	245	0.00
2	A_g	135	129	0.00
3	B_1u	273	262	111.91
4	B_2u	224	214	101.80
5	B_3g	231	221	0.00
6	B_3u	92	88	69.42

Atom	y (Å)	z (Å)
Na1	1.636	0.000
Cl2	0.000	2.014
Cl3	0.000	-2.014
Na4	-1.636	0.000

	Na1	Cl2	Cl3	Na4
Na1		2.5948	2.5948	3.2718
Cl2	2.5948		4.0282	2.5948
Cl3	2.5948	4.0282		2.5948
Na4	3.2718	2.5948	2.5948

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	Cl2	Na4	78.169		Na1	Cl3	Na4	78.169
Cl2	Na1	Cl3	101.831		Cl2	Na4	Cl3	101.831

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

using model chemistry: B1B95/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	0.841
2	Cl	-0.841
3	Cl	-0.841
4	Na	0.841

<r²>	221.063
(<r²>)^1/2	14.868

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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