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	hartrees
Energy at 0K	-7691.274370
Energy at 298.15K	-7691.283728
HF Energy	-7691.274370
Nuclear repulsion energy	810.685272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	562	496	7.38
2	A₁	239	211	0.07
3	E	712	628	72.87
3	E	712	628	72.89
4	E	159	140	0.01
4	E	159	140	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.677
Br2	0.000	1.831	-0.045
Br3	1.586	-0.916	-0.045
Br4	-1.586	-0.916	-0.045

	N1	Br2	Br3	Br4
N1		1.9686	1.9686	1.9686
Br2	1.9686		3.1719	3.1719
Br3	1.9686	3.1719		3.1719
Br4	1.9686	3.1719	3.1719

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.337		Br2	N1	Br4	107.337
Br3	N1	Br4	107.337

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

using model chemistry: PBE1PBE/STO-3G

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	-0.192
2	Br	0.064
3	Br	0.064
4	Br	0.064

	x	y	z	Total
	0.000	0.000	-0.568	0.568
CHELPG
AIM
ESP

<r²>	389.330
(<r²>)^1/2	19.731

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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