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	hartrees
Energy at 0K	-1120.313025
Energy at 298.15K	-1120.313043
HF Energy	-1120.180063
Nuclear repulsion energy	134.195631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	324	311	0.00
2	Σ_u	622	597	153.41
3	Π_u	109	105	58.22
4	Π_u	109	105	58.22

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.179
Cl3	0.000	0.000	-2.179

	Mg1	Cl2	Cl3
Mg1		2.1787	2.1787
Cl2	2.1787		4.3574
Cl3	2.1787	4.3574

Number	Element	Mulliken
1	Mg	0.763
2	Cl	-0.381
3	Cl	-0.381

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

using model chemistry: B2PLYP/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>	185.878
(<r²>)^1/2	13.634

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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