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	hartrees
Energy at 0K	-399.579182
Energy at 298.15K	-399.579602
HF Energy	-399.579182
Nuclear repulsion energy	77.417083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	573	567	0.00
2	Σ_u	901	892	97.05
3	Π_u	176	174	102.61
3	Π_u	176	174	102.61

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
F2	0.000	0.000	1.753
F3	0.000	0.000	-1.753

	Mg1	F2	F3
Mg1		1.7533	1.7533
F2	1.7533		3.5066
F3	1.7533	3.5066

Number	Element	Mulliken
1	Mg	0.467
2	F	-0.234
3	F	-0.234

All results from a given calculation for MgF₂ (Magnesium fluoride)

using model chemistry: PBEPBE/6-31G(2df,p)

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>	68.740
(<r²>)^1/2	8.291

All results from a given calculation for MgF2 (Magnesium fluoride)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for MgF₂ (Magnesium fluoride)