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	hartrees
Energy at 0K	-49.347341
Energy at 298.15K	-49.347736
HF Energy	-49.347341
Nuclear repulsion energy	15.774752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	539	520	0.00
2	Σ_u	898	867	145.59
3	Π_u	178	172	133.58
3	Π_u	178	172	133.58

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
F2	0.000	0.000	1.761
F3	0.000	0.000	-1.761

	Mg1	F2	F3
Mg1		1.7612	1.7612
F2	1.7612		3.5223
F3	1.7612	3.5223

Number	Element	Mulliken
1	Mg	1.035
2	F	-0.517
3	F	-0.517

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

using model chemistry: B3LYP/CEP-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>	55.914
(<r²>)^1/2	7.478

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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