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	hartrees
Energy at 0K	-398.707469
Energy at 298.15K	-398.707835
HF Energy	-398.707469
Nuclear repulsion energy	78.283905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	589	537	0.00
2	Σ_u	918	836	194.38
3	Π_u	152	138	158.21
3	Π_u	152	138	158.21

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
F2	0.000	0.000	1.734
F3	0.000	0.000	-1.734

	Mg1	F2	F3
Mg1		1.7339	1.7339
F2	1.7339		3.4677
F3	1.7339	3.4677

Number	Element	Mulliken
1	Mg	1.408
2	F	-0.704
3	F	-0.704

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

using model chemistry: HF/aug-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>	67.737
(<r²>)^1/2	8.230

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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