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	hartrees
Energy at 0K	-8062.741433
Energy at 298.15K	-8062.750425
HF Energy	-8062.741433
Nuclear repulsion energy	923.503433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	375	371	7.86
2	A₁	148	147	0.01
3	E	374	370	100.73
3	E	374	370	100.73
4	E	102	101	0.03
4	E	102	101	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.877
Br2	0.000	2.025	-0.125
Br3	1.753	-1.012	-0.125
Br4	-1.753	-1.012	-0.125

	P1	Br2	Br3	Br4
P1		2.2590	2.2590	2.2590
Br2	2.2590		3.5068	3.5068
Br3	2.2590	3.5068		3.5068
Br4	2.2590	3.5068	3.5068

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.825		Br2	P1	Br4	101.825
Br3	P1	Br4	101.825

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

using model chemistry: PBEPBEultrafine/aug-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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Number	Element	Mulliken
1	P	0.245
2	Br	-0.082
3	Br	-0.082
4	Br	-0.082

	x	y	z	Total
	0.000	0.000	0.414	0.414
CHELPG
AIM
ESP

<r²>	485.652
(<r²>)^1/2	22.038

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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