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	hartrees
Energy at 0K	-7778.080154
Energy at 298.15K	-7778.089490
HF Energy	-7778.080154
Nuclear repulsion energy	826.069633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	478	458	1.30
2	A₁	221	212	0.35
3	E	598	573	48.30
3	E	598	573	48.05
4	E	153	146	0.41
4	E	153	146	0.41

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.642
Br2	0.000	1.799	-0.043
Br3	1.558	-0.900	-0.043
Br4	-1.558	-0.900	-0.043

	N1	Br2	Br3	Br4
N1		1.9251	1.9251	1.9251
Br2	1.9251		3.1164	3.1164
Br3	1.9251	3.1164		3.1164
Br4	1.9251	3.1164	3.1164

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.079		Br2	N1	Br4	108.079
Br3	N1	Br4	108.079

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

using model chemistry: B1B95/aug-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	-0.904
2	Br	0.301
3	Br	0.301
4	Br	0.301

	x	y	z	Total
	0.000	0.000	-0.505	0.505
CHELPG
AIM
ESP

	x	y	z
x	13.395	0.000	0.000
y	0.000	13.399	-0.001
z	0.000	-0.001	7.925

<r²>	379.603
(<r²>)^1/2	19.483

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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