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	hartrees
Energy at 0K	-7776.264010
Energy at 298.15K	-7776.273342
HF Energy	-7776.264010
Nuclear repulsion energy	828.220658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	463	445	1.12
2	A₁	223	215	0.31
3	E	602	578	47.17
3	E	602	578	47.16
4	E	154	148	0.39
4	E	154	148	0.39

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.618
Br2	0.000	1.797	-0.041
Br3	1.556	-0.898	-0.041
Br4	-1.556	-0.898	-0.041

	N1	Br2	Br3	Br4
N1		1.9137	1.9137	1.9137
Br2	1.9137		3.1117	3.1117
Br3	1.9137	3.1117		3.1117
Br4	1.9137	3.1117	3.1117

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.776		Br2	N1	Br4	108.776
Br3	N1	Br4	108.776

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.287
2	Br	0.096
3	Br	0.096
4	Br	0.096

	x	y	z	Total
	0.000	0.000	-0.609	0.609
CHELPG
AIM
ESP

<r²>	378.302
(<r²>)^1/2	19.450

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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