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	hartrees
Energy at 0K	-399.788036
Energy at 298.15K	-399.788478
HF Energy	-399.788036
Nuclear repulsion energy	77.937087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	586	564	0.00
2	Σ_u	922	886	119.96
3	Π_u	178	172	118.04
3	Π_u	178	172	118.04

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
F2	0.000	0.000	1.742
F3	0.000	0.000	-1.742

	Mg1	F2	F3
Mg1		1.7416	1.7416
F2	1.7416		3.4832
F3	1.7416	3.4832

Number	Element	Mulliken
1	Mg	0.626
2	F	-0.313
3	F	-0.313

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

using model chemistry: B3PW91/6-31G(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>	67.904
(<r²>)^1/2	8.240

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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