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	hartrees
Energy at 0K	-7777.357145
Energy at 298.15K	-7777.366361
HF Energy	-7777.357145
Nuclear repulsion energy	816.119559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	451	436	0.96
2	A₁	213	206	0.33
3	E	545	527	60.66
3	E	545	527	60.67
4	E	148	143	0.75
4	E	148	143	0.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.626
Br2	0.000	1.823	-0.042
Br3	1.579	-0.912	-0.042
Br4	-1.579	-0.912	-0.042

	N1	Br2	Br3	Br4
N1		1.9418	1.9418	1.9418
Br2	1.9418		3.1580	3.1580
Br3	1.9418	3.1580		3.1580
Br4	1.9418	3.1580	3.1580

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.811		Br2	N1	Br4	108.811
Br3	N1	Br4	108.811

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.294
2	Br	0.098
3	Br	0.098
4	Br	0.098

	x	y	z	Total
	0.000	0.000	-0.597	0.597
CHELPG
AIM
ESP

<r²>	388.697
(<r²>)^1/2	19.715

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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