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	hartrees
Energy at 0K	-201.241965
Energy at 298.15K	-201.243219
HF Energy	-201.241965
Nuclear repulsion energy	7.555774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1585	1524	0.00
2	Σ_u	1626	1563	292.74
3	Π_u	481	462	345.40
3	Π_u	481	462	345.40

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.716
H3	0.000	0.000	-1.716

	Mg1	H2	H3
Mg1		1.7159	1.7159
H2	1.7159		3.4318
H3	1.7159	3.4318

Number	Element	Mulliken
1	Mg	0.312
2	H	-0.156
3	H	-0.156

All results from a given calculation for MgH₂ (magnesium dihydride)

using model chemistry: B3LYP/SDD

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>	15.057
(<r²>)^1/2	3.880

All results from a given calculation for MgH2 (magnesium dihydride)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for MgH₂ (magnesium dihydride)