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	hartrees
Energy at 0K	-7687.659587
Energy at 298.15K	-7687.669177
HF Energy	-7687.659587
Nuclear repulsion energy	826.085886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	516	421	1.71
2	A₁	265	217	0.14
3	E	912	744	41.29
3	E	912	744	41.29
4	E	187	153	0.26
4	E	187	153	0.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.566
Br2	0.000	1.806	-0.038
Br3	1.564	-0.903	-0.038
Br4	-1.564	-0.903	-0.038

	N1	Br2	Br3	Br4
N1		1.9039	1.9039	1.9039
Br2	1.9039		3.1276	3.1276
Br3	1.9039	3.1276		3.1276
Br4	1.9039	3.1276	3.1276

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	110.440		Br2	N1	Br4	110.440
Br3	N1	Br4	110.440

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

using model chemistry: HF/STO-3G

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	-0.295
2	Br	0.098
3	Br	0.098
4	Br	0.098

	x	y	z	Total
	0.000	0.000	-0.793	0.793
CHELPG
AIM
ESP

<r²>	378.668
(<r²>)^1/2	19.459

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

using model chemistry: HF/STO-3G

States and conformations

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