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	hartrees
Energy at 0K	-8024.801156
Energy at 298.15K	-8024.810352
HF Energy	-8024.801156
Nuclear repulsion energy	949.730098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	421	404	15.30
2	A₁	165	159	0.28
3	E	436	419	99.40
3	E	436	419	99.39
4	E	110	106	0.05
4	E	110	106	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.864
Br2	0.000	1.967	-0.123
Br3	1.703	-0.983	-0.123
Br4	-1.703	-0.983	-0.123

	P1	Br2	Br3	Br4
P1		2.2003	2.2003	2.2003
Br2	2.2003		3.4061	3.4061
Br3	2.2003	3.4061		3.4061
Br4	2.2003	3.4061	3.4061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.429		Br2	P1	Br4	101.429
Br3	P1	Br4	101.429

All results from a given calculation for PBr₃ (Phosphorus tribromide)

using model chemistry: PBE1PBE/3-21G*

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	P	0.492
2	Br	-0.164
3	Br	-0.164
4	Br	-0.164

	x	y	z	Total
	0.000	0.000	0.139	0.139
CHELPG
AIM
ESP

<r²>	460.104
(<r²>)^1/2	21.450

All results from a given calculation for PBr3 (Phosphorus tribromide)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for PBr₃ (Phosphorus tribromide)