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	hartrees
Energy at 0K	-1120.723234
Energy at 298.15K	-1120.723241
HF Energy	-1120.723234
Nuclear repulsion energy	134.114866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	320	310	0.00
2	Σ_u	615	595	154.65
3	Π_u	109	105	57.31
4	Π_u	109	105	57.31

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.180
Cl3	0.000	0.000	-2.180

	Mg1	Cl2	Cl3
Mg1		2.1800	2.1800
Cl2	2.1800		4.3600
Cl3	2.1800	4.3600

Number	Element	Mulliken
1	Mg	0.725
2	Cl	-0.362
3	Cl	-0.362

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

using model chemistry: TPSSh/cc-pVTZ

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>	185.863
(<r²>)^1/2	13.633

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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