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	hartrees
Energy at 0K	-200.070946
Energy at 298.15K	-200.072250
HF Energy	-200.070946
Nuclear repulsion energy	7.463440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1635	1635	0.00
2	Σ_u	1675	1675	348.20
3	Π_u	509	509	434.89
3	Π_u	509	509	434.89

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.737
H3	0.000	0.000	-1.737

	Mg1	H2	H3
Mg1		1.7371	1.7371
H2	1.7371		3.4742
H3	1.7371	3.4742

Number	Element	Mulliken
1	Mg	0.404
2	H	-0.202
3	H	-0.202

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

using model chemistry: wB97X-D/3-21G

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>	15.549
(<r²>)^1/2	3.943

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

using model chemistry: wB97X-D/3-21G

States and conformations

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