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	hartrees
Energy at 0K	-201.226648
Energy at 298.15K	-201.227851
HF Energy	-201.226648
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1548	1548	0.00
2	Σ_u	1577	1577	457.12
3	Π_u	449	449	456.16
3	Π_u	449	449	456.16

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.724
H3	0.000	0.000	-1.724

	Mg1	H2	H3
Mg1		1.7238	1.7238
H2	1.7238		3.4477
H3	1.7238	3.4477

Number	Element	Mulliken
1	Mg	0.363
2	H	-0.182
3	H	-0.182

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

using model chemistry: B97D3/6-311G*

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>	15.207
(<r²>)^1/2	3.900

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

using model chemistry: B97D3/6-311G*

States and conformations

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