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	hartrees
Energy at 0K	-93.681167
Energy at 298.15K	-93.690556
HF Energy	-93.681167
Nuclear repulsion energy	64.525371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	342	307	2.86
2	A₁	230	207	2.06
3	E	749	674	15.18
3	E	749	674	15.18
4	E	167	150	0.00
4	E	167	150	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.479
Br2	0.000	1.858	-0.032
Br3	1.609	-0.929	-0.032
Br4	-1.609	-0.929	-0.032

	N1	Br2	Br3	Br4
N1		1.9275	1.9275	1.9275
Br2	1.9275		3.2188	3.2188
Br3	1.9275	3.2188		3.2188
Br4	1.9275	3.2188	3.2188

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	113.229		Br2	N1	Br4	113.229
Br3	N1	Br4	113.229

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

using model chemistry: HF/SDD

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.851
2	Br	0.284
3	Br	0.284
4	Br	0.284

	x	y	z	Total
	0.000	0.000	-1.407	1.407
CHELPG
AIM
ESP

<r²>	104.839
(<r²>)^1/2	10.239

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

using model chemistry: HF/SDD

States and conformations

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