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	hartrees
Energy at 0K	-15.862828
Energy at 298.15K	-15.863199
HF Energy	-15.862828
Nuclear repulsion energy	3.361050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1999	1983	0.00
2	Σ_u	2212	2194	218.39
3	Π_u	691	685	304.71
3	Π_u	691	685	304.71

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
H2	0.000	0.000	1.338
H3	0.000	0.000	-1.338

	Be1	H2	H3
Be1		1.3383	1.3383
H2	1.3383		2.6765
H3	1.3383	2.6765

Number	Element	Mulliken
1	Be	0.124
2	H	-0.062
3	H	-0.062

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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>	8.876
(<r²>)^1/2	2.979

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

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