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	hartrees
Energy at 0K	-8064.633163
Energy at 298.15K	-8064.642277
HF Energy	-8064.633163
Nuclear repulsion energy	936.338704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	396	379	10.29
2	A₁	160	153	0.04
3	E	401	384	99.83
3	E	401	384	99.84
4	E	110	106	0.00
4	E	110	106	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.876
Br2	0.000	1.995	-0.125
Br3	1.727	-0.997	-0.125
Br4	-1.727	-0.997	-0.125

	P1	Br2	Br3	Br4
P1		2.2320	2.2320	2.2320
Br2	2.2320		3.4547	3.4547
Br3	2.2320	3.4547		3.4547
Br4	2.2320	3.4547	3.4547

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.413		Br2	P1	Br4	101.413
Br3	P1	Br4	101.413

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

using model chemistry: mPW1PW91/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	0.237
2	Br	-0.079
3	Br	-0.079
4	Br	-0.079

	x	y	z	Total
	0.000	0.000	0.395	0.395
CHELPG
AIM
ESP

	x	y	z
x	15.724	0.000	0.000
y	0.000	15.724	-0.000
z	0.000	-0.000	10.676

<r²>	472.717
(<r²>)^1/2	21.742

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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