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	hartrees
Energy at 0K	-7775.696549
Energy at 298.15K	-7775.705750
HF Energy	-7775.498912
Nuclear repulsion energy	809.548090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	448	429	0.05
2	A₁	210	201	0.47
3	E	542	519	57.02
3	E	542	519	57.01
4	E	147	141	0.70
4	E	147	141	0.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.662
Br2	0.000	1.835	-0.044
Br3	1.589	-0.918	-0.044
Br4	-1.589	-0.918	-0.044

	N1	Br2	Br3	Br4
N1		1.9665	1.9665	1.9665
Br2	1.9665		3.1789	3.1789
Br3	1.9665	3.1789		3.1789
Br4	1.9665	3.1789	3.1789

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.854		Br2	N1	Br4	107.854
Br3	N1	Br4	107.854

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

using model chemistry: B2PLYP/cc-pVDZ

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	-0.362
2	Br	0.121
3	Br	0.121
4	Br	0.121

	x	y	z	Total
	0.000	0.000	-0.757	0.757
CHELPG
AIM
ESP

<r²>	393.392
(<r²>)^1/2	19.834

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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