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	hartrees
Energy at 0K	-7777.159885
Energy at 298.15K
HF Energy	-7777.159885
Nuclear repulsion energy	827.920034

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	482	482	1.40	18.52	0.06	0.11
2	A₁	233	233	0.29	13.98	0.09	0.17
3	E	643	643	34.84	10.31	0.75	0.86
3	E	643	643	34.68	10.11	0.75	0.86
4	E	164	164	0.21	3.73	0.75	0.86
4	E	164	164	0.21	3.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.626
Br2	0.000	1.797	-0.042
Br3	1.556	-0.898	-0.042
Br4	-1.556	-0.898	-0.042

	N1	Br2	Br3	Br4
N1		1.9166	1.9166	1.9166
Br2	1.9166		3.1117	3.1117
Br3	1.9166	3.1117		3.1117
Br4	1.9166	3.1117	3.1117

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.541		Br2	N1	Br4	108.541
Br3	N1	Br4	108.541

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

using model chemistry: M06-2X/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	-0.543
2	Br	0.181
3	Br	0.181
4	Br	0.181

	x	y	z	Total
	0.000	0.000	-0.533	0.533
CHELPG
AIM
ESP

	x	y	z
x	13.392	0.000	0.000
y	0.000	13.386	-0.005
z	0.000	-0.005	8.282

<r²>	378.713
(<r²>)^1/2	19.461

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

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

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