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	hartrees
Energy at 0K	-93.062385
Energy at 298.15K	-93.071714
HF Energy	-93.062385
Nuclear repulsion energy	63.856769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	322	289	2.48
2	A₁	224	202	2.63
3	E	728	655	11.38
3	E	728	655	11.38
4	E	163	147	0.00
4	E	163	147	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.476
Br2	0.000	1.879	-0.032
Br3	1.628	-0.940	-0.032
Br4	-1.628	-0.940	-0.032

	N1	Br2	Br3	Br4
N1		1.9467	1.9467	1.9467
Br2	1.9467		3.2550	3.2550
Br3	1.9467	3.2550		3.2550
Br4	1.9467	3.2550	3.2550

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	113.443		Br2	N1	Br4	113.443
Br3	N1	Br4	113.443

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

using model chemistry: HF/LANL2DZ

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	-0.777
2	Br	0.259
3	Br	0.259
4	Br	0.259

	x	y	z	Total
	0.000	0.000	-1.497	1.497
CHELPG
AIM
ESP

<r²>	106.857
(<r²>)^1/2	10.337

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

using model chemistry: HF/LANL2DZ

States and conformations

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