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	hartrees
Energy at 0K	-7777.131568
Energy at 298.15K
HF Energy	-7777.131568
Nuclear repulsion energy	811.094453

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	465	465	1.24	10.38	0.04	0.08
2	A₁	211	211	0.36	19.84	0.09	0.17
3	E	537	537	65.28	5.90	0.75	0.86
3	E	537	537	65.27	5.89	0.75	0.86
4	E	146	146	0.85	4.77	0.75	0.86
4	E	146	146	0.85	4.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.643
Br2	0.000	1.833	-0.043
Br3	1.588	-0.917	-0.043
Br4	-1.588	-0.917	-0.043

	N1	Br2	Br3	Br4
N1		1.9575	1.9575	1.9575
Br2	1.9575		3.1756	3.1756
Br3	1.9575	3.1756		3.1756
Br4	1.9575	3.1756	3.1756

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.417		Br2	N1	Br4	108.417
Br3	N1	Br4	108.417

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

using model chemistry: B3LYP/daug-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	-0.489
2	Br	0.163
3	Br	0.163
4	Br	0.163

	x	y	z	Total
	0.000	0.000	-0.492	0.492
CHELPG
AIM
ESP

<r²>	392.977
(<r²>)^1/2	19.824

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

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

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