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	hartrees
Energy at 0K	-7771.727150
Energy at 298.15K	-7771.736744
HF Energy	-7771.727150
Nuclear repulsion energy	839.855714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	442	402	3.31
2	A₁	246	224	0.41
3	E	783	712	1.94
3	E	783	712	1.94
4	E	179	163	0.00
4	E	179	163	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.521
Br2	0.000	1.779	-0.035
Br3	1.541	-0.889	-0.035
Br4	-1.541	-0.889	-0.035

	N1	Br2	Br3	Br4
N1		1.8638	1.8638	1.8638
Br2	1.8638		3.0811	3.0811
Br3	1.8638	3.0811		3.0811
Br4	1.8638	3.0811	3.0811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	111.494		Br2	N1	Br4	111.494
Br3	N1	Br4	111.494

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.627
2	Br	0.209
3	Br	0.209
4	Br	0.209

<r²>	371.182
(<r²>)^1/2	19.266

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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