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	hartrees
Energy at 0K	-7763.978139
Energy at 298.15K	-7763.987707
HF Energy	-7763.978139
Nuclear repulsion energy	834.782258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	455	411	3.07
2	A₁	247	223	0.43
3	E	740	668	6.70
3	E	740	668	6.70
4	E	182	164	0.01
4	E	182	164	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.565
Br2	0.000	1.786	-0.038
Br3	1.547	-0.893	-0.038
Br4	-1.547	-0.893	-0.038

	N1	Br2	Br3	Br4
N1		1.8854	1.8854	1.8854
Br2	1.8854		3.0943	3.0943
Br3	1.8854	3.0943		3.0943
Br4	1.8854	3.0943	3.0943

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	110.288		Br2	N1	Br4	110.288
Br3	N1	Br4	110.288

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

using model chemistry: HF/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	-0.497
2	Br	0.166
3	Br	0.166
4	Br	0.166

	x	y	z	Total
	0.000	0.000	-0.860	0.860
CHELPG
AIM
ESP

<r²>	373.886
(<r²>)^1/2	19.336

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

using model chemistry: HF/6-31G**

States and conformations

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