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	hartrees
Energy at 0K	-201.236980
Energy at 298.15K	-201.238191
HF Energy	-201.236980
Nuclear repulsion energy	7.547352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1600	1535	0.00
2	Σ_u	1633	1566	375.47
3	Π_u	455	437	475.36
3	Π_u	455	437	475.36

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.718
H3	0.000	0.000	-1.718

	Mg1	H2	H3
Mg1		1.7178	1.7178
H2	1.7178		3.4356
H3	1.7178	3.4356

Number	Element	Mulliken
1	Mg	0.238
2	H	-0.119
3	H	-0.119

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

using model chemistry: TPSSh/6-31G*

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>	14.998
(<r²>)^1/2	3.873

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

using model chemistry: TPSSh/6-31G*

States and conformations

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