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	hartrees
Energy at 0K	-1113.356660
Energy at 298.15K	-1113.356637
HF Energy	-1113.243366
Nuclear repulsion energy	129.295271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	305	296	0.00
2	Σ_u	602	586	102.27
3	Π_u	109	106	79.08
3	Π_u	109	106	79.08

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.261
Cl3	0.000	0.000	-2.261

	Mg1	Cl2	Cl3
Mg1		2.2613	2.2613
Cl2	2.2613		4.5225
Cl3	2.2613	4.5225

Number	Element	Mulliken
1	Mg	1.164
2	Cl	-0.582
3	Cl	-0.582

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

using model chemistry: CCD/3-21G

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>	200.853
(<r²>)^1/2	14.172

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

using model chemistry: CCD/3-21G

States and conformations

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