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	hartrees
Energy at 0K	-8062.739264
Energy at 298.15K	-8062.748267
HF Energy	-8062.739264
Nuclear repulsion energy	923.436358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	377	374	8.97
2	A₁	149	148	0.01
3	E	377	375	105.85
3	E	377	375	105.87
4	E	102	102	0.02
4	E	102	102	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.875
Br2	0.000	2.025	-0.125
Br3	1.754	-1.013	-0.125
Br4	-1.754	-1.013	-0.125

	P1	Br2	Br3	Br4
P1		2.2587	2.2587	2.2587
Br2	2.2587		3.5075	3.5075
Br3	2.2587	3.5075		3.5075
Br4	2.2587	3.5075	3.5075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.870		Br2	P1	Br4	101.870
Br3	P1	Br4	101.870

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

using model chemistry: PBEPBE/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	0.234
2	Br	-0.078
3	Br	-0.078
4	Br	-0.078

	x	y	z	Total
	0.000	0.000	0.412	0.412
CHELPG
AIM
ESP

<r²>	485.635
(<r²>)^1/2	22.037

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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