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	hartrees
Energy at 0K	-5162.976993
Energy at 298.15K
HF Energy	-5162.976993
Nuclear repulsion energy	240.926213

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	240	233	0.00	4.08	0.18	0.31
2	Σ_u	1003	976	412.74	0.00	0.00	0.00
3	Π_u	200	195	24.42	0.00	0.00	0.00
3	Π_u	200	195	24.42	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	1.960
Br3	0.000	0.000	-1.960

	Be1	Br2	Br3
Be1		1.9603	1.9603
Br2	1.9603		3.9206
Br3	1.9603	3.9206

Number	Element	Mulliken
1	Be	0.149
2	Br	-0.075
3	Br	-0.075

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

using model chemistry: TPSSh/cc-pVDZ

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>	295.306
(<r²>)^1/2	17.184

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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