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	hartrees
Energy at 0K	-7769.792776
Energy at 298.15K	-7769.801754
HF Energy	-7769.792776
Nuclear repulsion energy	793.108653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	463	460	0.38
2	A₁	190	189	0.43
3	E	444	440	112.09
3	E	444	440	112.05
4	E	135	134	2.38
4	E	135	134	2.38

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.687
Br2	0.000	1.872	-0.046
Br3	1.622	-0.936	-0.046
Br4	-1.622	-0.936	-0.046

	N1	Br2	Br3	Br4
N1		2.0105	2.0105	2.0105
Br2	2.0105		3.2431	3.2431
Br3	2.0105	3.2431		3.2431
Br4	2.0105	3.2431	3.2431

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.516		Br2	N1	Br4	107.516
Br3	N1	Br4	107.516

All results from a given calculation for NBr₃ (Nitrogen Tribromide)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	N	-0.271
2	Br	0.090
3	Br	0.090
4	Br	0.090

	x	y	z	Total
	0.000	0.000	-0.599	0.599
CHELPG
AIM
ESP

<r²>	407.837
(<r²>)^1/2	20.195

All results from a given calculation for NBr3 (Nitrogen Tribromide)

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

States and conformations

All results from a given calculation for NBr₃ (Nitrogen Tribromide)