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	hartrees
Energy at 0K	-2635.693517
Energy at 298.15K	-2635.694851
Nuclear repulsion energy	799.417704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	383	377	0.00
2	A₁'	281	276	0.00
3	A₂"	452	445	319.28
4	A₂"	291	286	9.82
5	E'	564	555	177.81
5	E'	564	555	177.90
6	E'	258	254	3.45
6	E'	258	254	3.46
7	E'	86	84	0.68
7	E'	86	84	0.68
8	E"	250	246	0.00
8	E"	250	246	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
Cl2	0.000	2.045	0.000
Cl3	1.771	-1.022	0.000
Cl4	-1.771	-1.022	0.000
Cl5	0.000	0.000	2.140
Cl6	0.000	0.000	-2.140

	P1	Cl2	Cl3	Cl4	Cl5	Cl6
P1		2.0448	2.0448	2.0448	2.1397	2.1397
Cl2	2.0448		3.5417	3.5417	2.9597	2.9597
Cl3	2.0448	3.5417		3.5417	2.9597	2.9597
Cl4	2.0448	3.5417	3.5417		2.9597	2.9597
Cl5	2.1397	2.9597	2.9597	2.9597		4.2794
Cl6	2.1397	2.9597	2.9597	2.9597	4.2794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	P1	Cl3	120.000	Cl2	P1	Cl4	120.000
Cl2	P1	Cl5	90.000	Cl2	P1	Cl6	90.000
Cl3	P1	Cl4	120.000	Cl3	P1	Cl5	90.000
Cl3	P1	Cl6	90.000	Cl4	P1	Cl5	90.000
Cl4	P1	Cl6	90.000	Cl5	P1	Cl6	180.000

All results from a given calculation for PCl₅ (Phosphorus pentachloride)

using model chemistry: LSDA/6-31+G**

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	-0.377
2	Cl	0.180
3	Cl	0.180
4	Cl	0.180
5	Cl	-0.081
6	Cl	-0.081

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for PCl5 (Phosphorus pentachloride)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for PCl₅ (Phosphorus pentachloride)