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	hartrees
Energy at 0K	-15.871820
Energy at 298.15K	-15.872231
HF Energy	-15.871820
Nuclear repulsion energy	3.367972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2025	1941	0.00
2	Σ_u	2246	2153	244.62
3	Π_u	741	710	317.81
3	Π_u	741	710	317.81

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
H2	0.000	0.000	1.336
H3	0.000	0.000	-1.336

	Be1	H2	H3
Be1		1.3355	1.3355
H2	1.3355		2.6710
H3	1.3355	2.6710

Number	Element	Mulliken
1	Be	0.118
2	H	-0.059
3	H	-0.059

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

using model chemistry: PBE1PBE/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>	8.809
(<r²>)^1/2	2.968

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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