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	hartrees
Energy at 0K	-7711.022268
Energy at 298.15K	-7711.030769
HF Energy	-7711.022268
Nuclear repulsion energy	743.460407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	296	281	0.00
2	A₂"	480	455	0.37
3	E'	877	831	279.01
3	E'	876	831	279.28
4	E'	164	155	0.18
4	E'	164	155	0.18

Atom	x (Å)	y (Å)
B1	0.000	0.000
Br2	0.000	1.878
Br3	1.626	-0.939
Br4	-1.626	-0.939

	B1	Br2	Br3	Br4
B1		1.8776	1.8776	1.8776
Br2	1.8776		3.2521	3.2521
Br3	1.8776	3.2521		3.2521
Br4	1.8776	3.2521	3.2521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	B1	Br3	120.000		Br2	B1	Br4	120.000
Br3	B1	Br4	120.000

All results from a given calculation for BBr₃ (Boron tribromide)

using model chemistry: wB97X-D/3-21G*

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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Number	Element	Mulliken
1	B	0.460
2	Br	-0.153
3	Br	-0.153
4	Br	-0.153

<r²>	409.160
(<r²>)^1/2	20.228

All results from a given calculation for BBr3 (Boron tribromide)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for BBr₃ (Boron tribromide)