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	hartrees
Energy at 0K	-1120.764134
Energy at 298.15K	-1120.764164
Nuclear repulsion energy	133.596924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	323	311	0.00
2	Σ_u	627	603	147.19
3	Π_u	113	108	58.93
3	Π_u	113	108	58.93

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.188
Cl3	0.000	0.000	-2.188

	Mg1	Cl2	Cl3
Mg1		2.1885	2.1885
Cl2	2.1885		4.3769
Cl3	2.1885	4.3769

Number	Element	Mulliken
1	Mg	0.616
2	Cl	-0.308
3	Cl	-0.308

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

using model chemistry: B1B95/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>	186.996
(<r²>)^1/2	13.675

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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