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	hartrees
Energy at 0K	-5154.936868
Energy at 298.15K
HF Energy	-5154.936868
Nuclear repulsion energy	244.393031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	260	236	0.00	2.67	0.10	0.18
2	Σ_u	1084	982	417.10	0.00	0.00	0.00
3	Π_u	305	276	35.11	0.00	0.00	0.00
3	Π_u	305	276	35.11	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
Br2	0.000	0.000	1.933
Br3	0.000	0.000	-1.933

	Be1	Br2	Br3
Be1		1.9325	1.9325
Br2	1.9325		3.8650
Br3	1.9325	3.8650

Number	Element	Mulliken
1	Be	-0.173
2	Br	0.086
3	Br	0.086

All results from a given calculation for BeBr₂ (Beryllium bromide)

using model chemistry: HF/6-31G(2df,p)

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>	288.196
(<r²>)^1/2	16.976

All results from a given calculation for BeBr2 (Beryllium bromide)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for BeBr₂ (Beryllium bromide)