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	hartrees
Energy at 0K	-201.111905
Energy at 298.15K	-201.113117
HF Energy	-201.094784
Nuclear repulsion energy	7.607519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1599	1532	0.00
2	Σ_u	1624	1557	363.76
3	Π_u	451	432	455.77
3	Π_u	451	432	455.77

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.704
H3	0.000	0.000	-1.704

	Mg1	H2	H3
Mg1		1.7042	1.7042
H2	1.7042		3.4084
H3	1.7042	3.4084

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

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

States and conformations

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