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	hartrees
Energy at 0K	-8055.159345
Energy at 298.15K	-8055.168354
HF Energy	-8055.159345
Nuclear repulsion energy	926.207712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	386	381	11.96
2	A₁	148	146	0.12
3	E	396	390	104.30
3	E	396	390	104.32
4	E	98	96	0.01
4	E	98	96	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.873
Br2	0.000	2.019	-0.125
Br3	1.749	-1.010	-0.125
Br4	-1.749	-1.010	-0.125

	P1	Br2	Br3	Br4
P1		2.2520	2.2520	2.2520
Br2	2.2520		3.4970	3.4970
Br3	2.2520	3.4970		3.4970
Br4	2.2520	3.4970	3.4970

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.869		Br2	P1	Br4	101.869
Br3	P1	Br4	101.869

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

using model chemistry: PBEPBE/6-31G*

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	0.494
2	Br	-0.165
3	Br	-0.165
4	Br	-0.165

	x	y	z	Total
	0.000	0.000	0.402	0.402
CHELPG
AIM
ESP

<r²>	482.618
(<r²>)^1/2	21.969

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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