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	hartrees
Energy at 0K	-5158.631435
Energy at 298.15K
HF Energy	-5158.631435
Nuclear repulsion energy	246.921023

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	254	241	0.00	3.52	0.18	0.30
2	Σ_u	1093	1040	395.34	0.00	0.00	0.00
3	Π_u	355	337	22.47	0.00	0.00	0.00
3	Π_u	355	337	22.47	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	1.913
Br3	0.000	0.000	-1.913

	Be1	Br2	Br3
Be1		1.9127	1.9127
Br2	1.9127		3.8254
Br3	1.9127	3.8254

Number	Element	Mulliken
1	Be	0.204
2	Br	-0.102
3	Br	-0.102

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

using model chemistry: mPW1PW91/6-31G**

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>	282.180
(<r²>)^1/2	16.798

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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