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	hartrees
Energy at 0K	-7777.359866
Energy at 298.15K	-7777.369085
HF Energy	-7777.359866
Nuclear repulsion energy	816.551382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	449	434	1.35
2	A₁	213	206	0.33
3	E	547	529	56.29
3	E	547	529	56.28
4	E	148	143	0.68
4	E	148	143	0.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.624
Br2	0.000	1.822	-0.042
Br3	1.578	-0.911	-0.042
Br4	-1.578	-0.911	-0.042

	N1	Br2	Br3	Br4
N1		1.9403	1.9403	1.9403
Br2	1.9403		3.1566	3.1566
Br3	1.9403	3.1566		3.1566
Br4	1.9403	3.1566	3.1566

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.865		Br2	N1	Br4	108.865
Br3	N1	Br4	108.865

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

using model chemistry: B3LYPultrafine/aug-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	-0.666
2	Br	0.222
3	Br	0.222
4	Br	0.222

	x	y	z	Total
	0.000	0.000	-0.493	0.493
CHELPG
AIM
ESP

<r²>	388.544
(<r²>)^1/2	19.712

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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