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	hartrees
Energy at 0K	-7744.323683
Energy at 298.15K
HF Energy	-7744.323683
Nuclear repulsion energy	801.595827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	478	478	0.02	5.32	0.00	0.00
2	A₁	190	190	0.50	19.45	0.14	0.24
3	E	502	502	111.10	2.19	0.75	0.86
3	E	502	502	111.11	2.19	0.75	0.86
4	E	134	134	1.40	5.75	0.75	0.86
4	E	134	134	1.40	5.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.699
Br2	0.000	1.851	-0.047
Br3	1.603	-0.925	-0.047
Br4	-1.603	-0.925	-0.047

	N1	Br2	Br3	Br4
N1		1.9953	1.9953	1.9953
Br2	1.9953		3.2056	3.2056
Br3	1.9953	3.2056		3.2056
Br4	1.9953	3.2056	3.2056

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	106.889		Br2	N1	Br4	106.889
Br3	N1	Br4	106.889

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

using model chemistry: B97D3/3-21G*

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	-0.249
2	Br	0.083
3	Br	0.083
4	Br	0.083

	x	y	z	Total
	0.000	0.000	-0.707	0.707
CHELPG
AIM
ESP

<r²>	398.816
(<r²>)^1/2	19.970

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

using model chemistry: B97D3/3-21G*

States and conformations

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