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	hartrees
Energy at 0K	-5162.514662
Energy at 298.15K
HF Energy	-5162.324609
Nuclear repulsion energy	242.791979

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	245	234	0.00	4.06	0.13	0.23
2	Σ_u	1016	971	400.53	0.00	0.00	0.00
3	Π_u	210	201	26.55	0.00	0.00	0.00
3	Π_u	210	201	26.55	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	1.945
Br3	0.000	0.000	-1.945

	Be1	Br2	Br3
Be1		1.9452	1.9452
Br2	1.9452		3.8905
Br3	1.9452	3.8905

Number	Element	Mulliken
1	Be	0.158
2	Br	-0.079
3	Br	-0.079

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

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>	291.712
(<r²>)^1/2	17.080

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

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