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	hartrees
Energy at 0K	-7773.653321
Energy at 298.15K
HF Energy	-7773.653321
Nuclear repulsion energy	800.803744

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	471	462	0.37	5.85	0.00	0.00
2	A₁	197	194	0.42	21.63	0.13	0.22
3	E	456	447	110.98	1.95	0.75	0.86
3	E	456	447	111.00	1.95	0.75	0.86
4	E	140	137	2.39	5.89	0.75	0.86
4	E	140	137	2.39	5.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.679
Br2	0.000	1.855	-0.045
Br3	1.606	-0.927	-0.045
Br4	-1.606	-0.927	-0.045

	N1	Br2	Br3	Br4
N1		1.9908	1.9908	1.9908
Br2	1.9908		3.2122	3.2122
Br3	1.9908	3.2122		3.2122
Br4	1.9908	3.2122	3.2122

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.562		Br2	N1	Br4	107.562
Br3	N1	Br4	107.562

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

using model chemistry: B97D3/6-31G*

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	-0.287
2	Br	0.096
3	Br	0.096
4	Br	0.096

	x	y	z	Total
	0.000	0.000	-0.612	0.612
CHELPG
AIM
ESP

<r²>	400.431
(<r²>)^1/2	20.011

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

using model chemistry: B97D3/6-31G*

States and conformations

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