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	hartrees
Energy at 0K	-7775.849990
Energy at 298.15K
HF Energy	-7775.849990
Nuclear repulsion energy	805.356938

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	473	473	1.32	5.26	0.02	0.04
2	A₁	197	197	0.38	24.48	0.10	0.18
3	E	483	483	105.43	2.20	0.75	0.86
3	E	483	483	105.42	2.20	0.75	0.86
4	E	135	135	1.74	5.39	0.75	0.86
4	E	135	135	1.74	5.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.657
Br2	0.000	1.846	-0.044
Br3	1.598	-0.923	-0.044
Br4	-1.598	-0.923	-0.044

	N1	Br2	Br3	Br4
N1		1.9742	1.9742	1.9742
Br2	1.9742		3.1968	3.1968
Br3	1.9742	3.1968		3.1968
Br4	1.9742	3.1968	3.1968

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.124		Br2	N1	Br4	108.124
Br3	N1	Br4	108.124

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

using model chemistry: PBEPBE/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	-0.314
2	Br	0.105
3	Br	0.105
4	Br	0.105

	x	y	z	Total
	0.000	0.000	-0.417	0.417
CHELPG
AIM
ESP

<r²>	397.828
(<r²>)^1/2	19.946

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

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

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