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	hartrees
Energy at 0K	-7764.530358
Energy at 298.15K	-7764.539989
HF Energy	-7764.530358
Nuclear repulsion energy	848.998694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	438	397	3.32
2	A₁	253	229	0.53
3	E	809	733	0.98
3	E	809	733	0.98
4	E	186	169	0.01
4	E	186	169	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.506
Br2	0.000	1.761	-0.034
Br3	1.525	-0.880	-0.034
Br4	-1.525	-0.880	-0.034

	N1	Br2	Br3	Br4
N1		1.8413	1.8413	1.8413
Br2	1.8413		3.0493	3.0493
Br3	1.8413	3.0493		3.0493
Br4	1.8413	3.0493	3.0493

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	111.796		Br2	N1	Br4	111.796
Br3	N1	Br4	111.796

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

using model chemistry: HF/6-31G(2df,p)

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	-0.943
2	Br	0.314
3	Br	0.314
4	Br	0.314

	x	y	z	Total
	0.000	0.000	-0.552	0.552
CHELPG
AIM
ESP

<r²>	363.824
(<r²>)^1/2	19.074

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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