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	hartrees
Energy at 0K	-7771.727655
Energy at 298.15K
HF Energy	-7771.727655
Nuclear repulsion energy	839.891865

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	442	400	3.28	36.27	0.09	0.17
2	A₁	246	223	0.41	7.53	0.08	0.15
3	E	783	708	1.91	23.56	0.75	0.86
3	E	783	708	1.91	23.56	0.75	0.86
4	E	179	162	0.00	2.85	0.75	0.86
4	E	179	162	0.00	2.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.521
Br2	0.000	1.779	-0.035
Br3	1.540	-0.889	-0.035
Br4	-1.540	-0.889	-0.035

	N1	Br2	Br3	Br4
N1		1.8637	1.8637	1.8637
Br2	1.8637		3.0810	3.0810
Br3	1.8637	3.0810		3.0810
Br4	1.8637	3.0810	3.0810

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/daug-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	-0.485
2	Br	0.162
3	Br	0.162
4	Br	0.162

<r²>	371.147
(<r²>)^1/2	19.265

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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