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	hartrees
Energy at 0K	-399.628550
Energy at 298.15K	-399.628874
HF Energy	-399.628550
Nuclear repulsion energy	77.495936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	572	551	0.00
2	Σ_u	905	871	89.60
3	Π_u	144	139	127.16
3	Π_u	144	139	127.16

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
F2	0.000	0.000	1.751
F3	0.000	0.000	-1.751

	Mg1	F2	F3
Mg1		1.7515	1.7515
F2	1.7515		3.5030
F3	1.7515	3.5030

Number	Element	Mulliken
1	Mg	0.967
2	F	-0.484
3	F	-0.484

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

using model chemistry: HSEh1PBE/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>	68.662
(<r²>)^1/2	8.286

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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