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	hartrees
Energy at 0K	-15.925607
Energy at 298.15K	-15.926009
HF Energy	-15.925607
Nuclear repulsion energy	3.395863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2049	1985	0.00
2	Σ_u	2261	2190	242.58
3	Π_u	727	704	332.98
3	Π_u	727	704	332.98

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
H2	0.000	0.000	1.325
H3	0.000	0.000	-1.325

	Be1	H2	H3
Be1		1.3246	1.3246
H2	1.3246		2.6491
H3	1.3246	2.6491

Number	Element	Mulliken
1	Be	0.377
2	H	-0.188
3	H	-0.188

All results from a given calculation for BeH₂ (beryllium dihydride)

using model chemistry: B3LYP/cc-pVQZ

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>	8.770
(<r²>)^1/2	2.961

All results from a given calculation for BeH2 (beryllium dihydride)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

All results from a given calculation for BeH₂ (beryllium dihydride)