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	hartrees
Energy at 0K	-7777.557067
Energy at 298.15K	-7777.566338
HF Energy	-7777.557067
Nuclear repulsion energy	820.271381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	456	435	0.66
2	A₁	219	209	0.37
3	E	577	551	64.01
3	E	577	551	64.01
4	E	151	144	0.64
4	E	151	144	0.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.615
Br2	0.000	1.815	-0.041
Br3	1.572	-0.907	-0.041
Br4	-1.572	-0.907	-0.041

	N1	Br2	Br3	Br4
N1		1.9298	1.9298	1.9298
Br2	1.9298		3.1431	3.1431
Br3	1.9298	3.1431		3.1431
Br4	1.9298	3.1431	3.1431

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.054		Br2	N1	Br4	109.054
Br3	N1	Br4	109.054

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

using model chemistry: mPW1PW91/6-311G*

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	-0.467
2	Br	0.156
3	Br	0.156
4	Br	0.156

	x	y	z	Total
	0.000	0.000	-0.835	0.835
CHELPG
AIM
ESP

<r²>	385.100
(<r²>)^1/2	19.624

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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