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	hartrees
Energy at 0K	-8064.217068
Energy at 298.15K	-8064.226232
HF Energy	-8064.217068
Nuclear repulsion energy	938.531807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	402	385	11.03
2	A₁	165	158	0.06
3	E	411	393	97.67
3	E	411	393	98.22
4	E	114	109	0.00
4	E	114	109	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.873
Br2	0.000	1.995	-0.125
Br3	1.728	-0.997	-0.125
Br4	-1.728	-0.997	-0.125

	P1	Br2	Br3	Br4
P1		2.2306	2.2306	2.2306
Br2	2.2306		3.4551	3.4551
Br3	2.2306	3.4551		3.4551
Br4	2.2306	3.4551	3.4551

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.519		Br2	P1	Br4	101.519
Br3	P1	Br4	101.519

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

using model chemistry: wB97X-D/aug-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	0.320
2	Br	-0.107
3	Br	-0.107
4	Br	-0.107

	x	y	z	Total
	0.000	0.000	0.362	0.362
CHELPG
AIM
ESP

	x	y	z
x	15.634	0.000	0.000
y	0.000	15.613	0.001
z	0.000	0.001	10.768

<r²>	470.576
(<r²>)^1/2	21.693

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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