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	hartrees
Energy at 0K	-7690.620861
Energy at 298.15K	-7690.630001
HF Energy	-7690.620861
Nuclear repulsion energy	793.670578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	547	500	5.21
2	A₁	213	195	0.00
3	E	600	548	108.74
3	E	600	548	108.73
4	E	142	129	0.23
4	E	142	129	0.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.691
Br2	0.000	1.871	-0.046
Br3	1.620	-0.935	-0.046
Br4	-1.620	-0.935	-0.046

	N1	Br2	Br3	Br4
N1		2.0105	2.0105	2.0105
Br2	2.0105		3.2401	3.2401
Br3	2.0105	3.2401		3.2401
Br4	2.0105	3.2401	3.2401

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.371		Br2	N1	Br4	107.371
Br3	N1	Br4	107.371

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

using model chemistry: PBEPBE/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	-0.152
2	Br	0.051
3	Br	0.051
4	Br	0.051

	x	y	z	Total
	0.000	0.000	-0.431	0.431
CHELPG
AIM
ESP

<r²>	404.614
(<r²>)^1/2	20.115

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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