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	hartrees
Energy at 0K	-7768.265982
Energy at 298.15K	-7768.275188
HF Energy	-7768.082576
Nuclear repulsion energy	813.026216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	457	434	0.15
2	A₁	214	203	0.42
3	E	538	511	48.06
3	E	538	511	48.04
4	E	153	145	0.62
4	E	153	145	0.62

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.687
Br2	0.000	1.825	-0.046
Br3	1.580	-0.912	-0.046
Br4	-1.580	-0.912	-0.046

	N1	Br2	Br3	Br4
N1		1.9665	1.9665	1.9665
Br2	1.9665		3.1609	3.1609
Br3	1.9665	3.1609		3.1609
Br4	1.9665	3.1609	3.1609

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	106.964		Br2	N1	Br4	106.964
Br3	N1	Br4	106.964

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

using model chemistry: B2PLYP/6-31G*

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	-0.325
2	Br	0.108
3	Br	0.108
4	Br	0.108

	x	y	z	Total
	0.000	0.000	-0.728	0.728
CHELPG
AIM
ESP

<r²>	389.607
(<r²>)^1/2	19.738

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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