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	hartrees
Energy at 0K	-15.914239
Energy at 298.15K	-15.914700
Nuclear repulsion energy	3.379899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2015	1936	0.00
2	Σ_u	2278	2190	213.82
3	Π_u	814	783	203.44
3	Π_u	814	783	203.44

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
H2	0.000	0.000	1.331
H3	0.000	0.000	-1.331

	Be1	H2	H3
Be1		1.3308	1.3308
H2	1.3308		2.6616
H3	1.3308	2.6616

Number	Element	Mulliken
1	Be	-0.027
2	H	0.013
3	H	0.013

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

using model chemistry: B3LYP/LANL2DZ

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>	8.773
(<r²>)^1/2	2.962

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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