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	hartrees
Energy at 0K	-200.527587
Energy at 298.15K	-200.528756
HF Energy	-200.527587
Nuclear repulsion energy	7.572782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1525	1508	0.00
2	Σ_u	1576	1558	354.61
3	Π_u	427	422	384.87
3	Π_u	427	422	384.87

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.712
H3	0.000	0.000	-1.712

	Mg1	H2	H3
Mg1		1.7120	1.7120
H2	1.7120		3.4241
H3	1.7120	3.4241

Number	Element	Mulliken
1	Mg	-0.160
2	H	0.080
3	H	0.080

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

using model chemistry: LSDA/aug-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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<r²>	15.021
(<r²>)^1/2	3.876

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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