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	hartrees
Energy at 0K	-1120.630674
Energy at 298.15K	-1120.630669
Nuclear repulsion energy	133.302419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	316	304	0.00
2	Σ_u	611	587	152.45
3	Π_u	109	105	57.24
3	Π_u	109	105	57.24

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.193
Cl3	0.000	0.000	-2.193

	Mg1	Cl2	Cl3
Mg1		2.1933	2.1933
Cl2	2.1933		4.3866
Cl3	2.1933	4.3866

Number	Element	Mulliken
1	Mg	0.540
2	Cl	-0.270
3	Cl	-0.270

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

using model chemistry: B3LYP/6-31G**

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>	187.930
(<r²>)^1/2	13.709

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

using model chemistry: B3LYP/6-31G**

States and conformations

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