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	hartrees
Energy at 0K	-7761.091825
Energy at 298.15K	-7761.101027
HF Energy	-7761.091825
Nuclear repulsion energy	824.681172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	488	479	0.45
2	A₁	213	209	0.43
3	E	527	518	99.65
3	E	527	518	99.68
4	E	149	146	1.10
4	E	149	146	1.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.668
Br2	0.000	1.800	-0.045
Br3	1.559	-0.900	-0.045
Br4	-1.559	-0.900	-0.045

	N1	Br2	Br3	Br4
N1		1.9357	1.9357	1.9357
Br2	1.9357		3.1178	3.1178
Br3	1.9357	3.1178		3.1178
Br4	1.9357	3.1178	3.1178

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.281		Br2	N1	Br4	107.281
Br3	N1	Br4	107.281

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

using model chemistry: LSDA/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	-0.308
2	Br	0.103
3	Br	0.103
4	Br	0.103

	x	y	z	Total
	0.000	0.000	-0.704	0.704
CHELPG
AIM
ESP

<r²>	379.572
(<r²>)^1/2	19.483

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

using model chemistry: LSDA/6-31G*

States and conformations

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