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	hartrees
Energy at 0K	-201.233850
Energy at 298.15K	-201.235088
HF Energy	-201.233850
Nuclear repulsion energy	7.578696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1614	1540	0.00
2	Σ_u	1642	1567	439.17
3	Π_u	468	447	477.10
3	Π_u	468	447	477.10

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
H2	0.000	0.000	1.711
H3	0.000	0.000	-1.711

	Mg1	H2	H3
Mg1		1.7107	1.7107
H2	1.7107		3.4214
H3	1.7107	3.4214

Number	Element	Mulliken
1	Mg	0.350
2	H	-0.175
3	H	-0.175

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

using model chemistry: mPW1PW91/6-311G*

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>	14.987
(<r²>)^1/2	3.871

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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