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	hartrees
Energy at 0K	-1120.536894
Energy at 298.15K	-1120.536914
Nuclear repulsion energy	133.083753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	315	303	0.00
2	Σ_u	608	587	161.11
3	Π_u	115	111	56.76
3	Π_u	115	111	56.76

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.197
Cl3	0.000	0.000	-2.197

	Mg1	Cl2	Cl3
Mg1		2.1969	2.1969
Cl2	2.1969		4.3938
Cl3	2.1969	4.3938

Number	Element	Mulliken
1	Mg	0.582
2	Cl	-0.291
3	Cl	-0.291

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

using model chemistry: B3PW91/aug-cc-pVDZ

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>	188.562
(<r²>)^1/2	13.732

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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