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	hartrees
Energy at 0K	-1120.173847
Energy at 298.15K
HF Energy	-1120.081141
Nuclear repulsion energy	133.669329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	322	306	0.00
2	Σ_u	623	591	155.08
3	Π_u	111	106	59.69
4	Π_u	111	106	59.69

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.187
Cl3	0.000	0.000	-2.187

	Mg1	Cl2	Cl3
Mg1		2.1873	2.1873
Cl2	2.1873		4.3745
Cl3	2.1873	4.3745

Number	Element	Mulliken
1	Mg	0.592
2	Cl	-0.296
3	Cl	-0.296

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

using model chemistry: B2PLYP/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>	187.262
(<r²>)^1/2	13.684

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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