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	hartrees
Energy at 0K	-201.132900
Energy at 298.15K	-201.134142
HF Energy	-201.104811
Nuclear repulsion energy	7.647814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1653	1586	0.00
2	Σ_u	1680	1612	440.97
3	Π_u	467	448	504.75
3	Π_u	467	448	504.75

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.695
H3	0.000	0.000	-1.695

	Mg1	H2	H3
Mg1		1.6952	1.6952
H2	1.6952		3.3905
H3	1.6952	3.3905

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for MgH2 (magnesium dihydride)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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