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	hartrees
Energy at 0K	-7777.372335
Energy at 298.15K
HF Energy	-7777.372335
Nuclear repulsion energy	817.573721

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	433	1.37	12.24	0.05	0.10
2	A₁	214	208	0.32	18.74	0.09	0.17
3	E	551	534	54.44	6.21	0.75	0.86
3	E	551	534	54.44	6.20	0.75	0.86
4	E	148	144	0.65	4.48	0.75	0.86
4	E	148	144	0.65	4.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.620
Br2	0.000	1.820	-0.041
Br3	1.577	-0.910	-0.041
Br4	-1.577	-0.910	-0.041

	N1	Br2	Br3	Br4
N1		1.9369	1.9369	1.9369
Br2	1.9369		3.1531	3.1531
Br3	1.9369	3.1531		3.1531
Br4	1.9369	3.1531	3.1531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.967		Br2	N1	Br4	108.967
Br3	N1	Br4	108.967

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

using model chemistry: B3LYP/aug-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	-0.646
2	Br	0.215
3	Br	0.215
4	Br	0.215

	x	y	z	Total
	0.000	0.000	-0.494	0.494
CHELPG
AIM
ESP

<r²>	387.717
(<r²>)^1/2	19.691

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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