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	hartrees
Energy at 0K	-7768.212022
Energy at 298.15K	-7768.221186
HF Energy	-7768.212022
Nuclear repulsion energy	794.502265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	448	429	0.86
2	A₁	205	196	0.52
3	E	544	520	84.39
3	E	544	520	84.40
4	E	141	135	0.47
4	E	141	135	0.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.690
Br2	0.000	1.869	-0.046
Br3	1.618	-0.934	-0.046
Br4	-1.618	-0.934	-0.046

	N1	Br2	Br3	Br4
N1		2.0085	2.0085	2.0085
Br2	2.0085		3.2366	3.2366
Br3	2.0085	3.2366		3.2366
Br4	2.0085	3.2366	3.2366

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.366		Br2	N1	Br4	107.366
Br3	N1	Br4	107.366

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

using model chemistry: HSEh1PBE/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	-0.621
2	Br	0.207
3	Br	0.207
4	Br	0.207

	x	y	z	Total
	0.000	0.000	-1.094	1.094
CHELPG
AIM
ESP

<r²>	407.151
(<r²>)^1/2	20.178

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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