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	hartrees
Energy at 0K	-45.094519
Energy at 298.15K	-45.103419
HF Energy	-45.094519
Nuclear repulsion energy	44.179881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	336	302	19.56
2	A₁	143	129	1.23
3	E	365	328	60.06
3	E	365	328	60.06
4	E	102	91	0.17
4	E	102	91	0.17

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.953
Br2	0.000	2.137	-0.136
Br3	1.851	-1.069	-0.136
Br4	-1.851	-1.069	-0.136

	P1	Br2	Br3	Br4
P1		2.3986	2.3986	2.3986
Br2	2.3986		3.7016	3.7016
Br3	2.3986	3.7016		3.7016
Br4	2.3986	3.7016	3.7016

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	100.995		Br2	P1	Br4	100.995
Br3	P1	Br4	100.995

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

using model chemistry: HF/LANL2DZ

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	0.391
2	Br	-0.130
3	Br	-0.130
4	Br	-0.130

	x	y	z	Total
	0.000	0.000	1.249	1.249
CHELPG
AIM
ESP

<r²>	139.387
(<r²>)^1/2	11.806

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

using model chemistry: HF/LANL2DZ

States and conformations

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