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	hartrees
Energy at 0K	-7769.856131
Energy at 298.15K
HF Energy	-7769.856131
Nuclear repulsion energy	832.558629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	478	455	1.67	17.62	0.05	0.10
2	A₁	232	221	0.41	12.31	0.11	0.19
3	E	624	594	28.95	9.34	0.75	0.86
3	E	624	594	29.00	9.38	0.75	0.86
4	E	168	160	0.26	4.17	0.75	0.86
4	E	168	160	0.26	4.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.655
Br2	0.000	1.784	-0.044
Br3	1.545	-0.892	-0.044
Br4	-1.545	-0.892	-0.044

	N1	Br2	Br3	Br4
N1		1.9154	1.9154	1.9154
Br2	1.9154		3.0893	3.0893
Br3	1.9154	3.0893		3.0893
Br4	1.9154	3.0893	3.0893

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.498		Br2	N1	Br4	107.498
Br3	N1	Br4	107.498

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

using model chemistry: wB97X-D/6-31+G**

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	-0.295
2	Br	0.098
3	Br	0.098
4	Br	0.098

	x	y	z	Total
	0.000	0.000	-0.715	0.715
CHELPG
AIM
ESP

	x	y	z
x	11.821	0.000	0.000
y	0.000	11.825	-0.000
z	0.000	-0.000	6.908

<r²>	373.925
(<r²>)^1/2	19.337

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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