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	hartrees
Energy at 0K	-7770.459698
Energy at 298.15K	-7770.469226
HF Energy	-7770.459698
Nuclear repulsion energy	843.160601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	460	438	1.64
2	A₁	248	237	0.33
3	E	701	668	19.70
3	E	701	667	19.84
4	E	176	167	0.06
4	E	176	167	0.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.585
Br2	0.000	1.767	-0.039
Br3	1.530	-0.883	-0.039
Br4	-1.530	-0.883	-0.039

	N1	Br2	Br3	Br4
N1		1.8736	1.8736	1.8736
Br2	1.8736		3.0598	3.0598
Br3	1.8736	3.0598		3.0598
Br4	1.8736	3.0598	3.0598

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.485		Br2	N1	Br4	109.485
Br3	N1	Br4	109.485

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

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.690
2	Br	0.230
3	Br	0.230
4	Br	0.230

	x	y	z	Total
	0.000	0.000	-0.550	0.550
CHELPG
AIM
ESP

	x	y	z
x	11.498	0.000	0.000
y	0.000	11.509	0.003
z	0.000	0.003	6.775

<r²>	366.566
(<r²>)^1/2	19.146

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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