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	hartrees
Energy at 0K	-1120.715344
Energy at 298.15K	-1120.715310
HF Energy	-1120.715344
Nuclear repulsion energy	133.156127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	310	306	0.00
2	Σ_u	596	588	149.79
3	Π_u	103	102	55.49
3	Π_u	103	102	55.49

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
Cl2	0.000	0.000	2.196
Cl3	0.000	0.000	-2.196

	Mg1	Cl2	Cl3
Mg1		2.1957	2.1957
Cl2	2.1957		4.3914
Cl3	2.1957	4.3914

Number	Element	Mulliken
1	Mg	0.738
2	Cl	-0.369
3	Cl	-0.369

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

using model chemistry: B97D3/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>	188.231
(<r²>)^1/2	13.720

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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