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	hartrees
Energy at 0K	-7777.440419
Energy at 298.15K
HF Energy	-7777.440419
Nuclear repulsion energy	832.576571

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	447	447	1.44	20.55	0.04	0.08
2	A₁	231	231	0.30	11.40	0.10	0.19
3	E	652	652	21.81	7.97	0.75	0.86
3	E	652	652	21.79	7.95	0.75	0.86
4	E	161	161	0.14	3.64	0.75	0.86
4	E	161	161	0.13	3.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.597
Br2	0.000	1.789	-0.040
Br3	1.549	-0.894	-0.040
Br4	-1.549	-0.894	-0.040

	N1	Br2	Br3	Br4
N1		1.8988	1.8988	1.8988
Br2	1.8988		3.0980	3.0980
Br3	1.8988	3.0980		3.0980
Br4	1.8988	3.0980	3.0980

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.332		Br2	N1	Br4	109.332
Br3	N1	Br4	109.332

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

using model chemistry: wB97X-D/cc-pVQZ

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	-0.334
2	Br	0.111
3	Br	0.111
4	Br	0.111

	x	y	z	Total
	0.000	0.000	-0.569	0.569
CHELPG
AIM
ESP

<r²>	375.070
(<r²>)^1/2	19.367

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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