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	hartrees
Energy at 0K	-8058.061577
Energy at 298.15K	-8058.070830
HF Energy	-8058.061577
Nuclear repulsion energy	941.115655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	415	376	16.39
2	A₁	177	160	0.13
3	E	430	390	107.11
3	E	430	390	107.11
4	E	124	112	0.00
4	E	124	112	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.866
Br2	0.000	1.989	-0.124
Br3	1.723	-0.995	-0.124
Br4	-1.723	-0.995	-0.124

	P1	Br2	Br3	Br4
P1		2.2219	2.2219	2.2219
Br2	2.2219		3.4452	3.4452
Br3	2.2219	3.4452		3.4452
Br4	2.2219	3.4452	3.4452

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.662		Br2	P1	Br4	101.662
Br3	P1	Br4	101.662

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

using model chemistry: HF/Def2TZVPP

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	0.510
2	Br	-0.170
3	Br	-0.170
4	Br	-0.170

	x	y	z	Total
	0.000	0.000	0.474	0.474
CHELPG
AIM
ESP

<r²>	469.035
(<r²>)^1/2	21.657

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

using model chemistry: HF/Def2TZVPP

States and conformations

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