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	hartrees
Energy at 0K	-8067.793485
Energy at 298.15K	-8067.802448
HF Energy	-8067.793485
Nuclear repulsion energy	920.676351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	367	362	8.06
2	A₁	150	148	0.00
3	E	361	356	105.67
3	E	361	356	105.68
4	E	104	103	0.07
4	E	104	103	0.07

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.871
Br2	0.000	2.033	-0.124
Br3	1.760	-1.016	-0.124
Br4	-1.760	-1.016	-0.124

	P1	Br2	Br3	Br4
P1		2.2631	2.2631	2.2631
Br2	2.2631		3.5205	3.5205
Br3	2.2631	3.5205		3.5205
Br4	2.2631	3.5205	3.5205

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	102.745		Br2	P1	Br4	102.745
Br3	P1	Br4	102.745

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.486
2	Br	-0.162
3	Br	-0.162
4	Br	-0.162

	x	y	z	Total
	0.000	0.000	0.461	0.461
CHELPG
AIM
ESP

	x	y	z
x	16.491	0.000	0.000
y	0.000	16.490	-0.000
z	0.000	-0.000	10.807

<r²>	488.625
(<r²>)^1/2	22.105

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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