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	hartrees
Energy at 0K	-1120.640156
Energy at 298.15K	-1120.640209
Nuclear repulsion energy	134.339045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	321	310	0.00
2	Σ_u	619	598	141.95
3	Π_u	122	118	52.44
3	Π_u	122	118	52.44

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.176
Cl3	0.000	0.000	-2.176

	Mg1	Cl2	Cl3
Mg1		2.1764	2.1764
Cl2	2.1764		4.3527
Cl3	2.1764	4.3527

Number	Element	Mulliken
1	Mg	0.742
2	Cl	-0.371
3	Cl	-0.371

All results from a given calculation for MgCl₂ (Magnesium dichloride)

using model chemistry: B3LYP/6-31G(2df,p)

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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<r²>	185.094
(<r²>)^1/2	13.605

All results from a given calculation for MgCl2 (Magnesium dichloride)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for MgCl₂ (Magnesium dichloride)