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	hartrees
Energy at 0K	-2625.774323
Energy at 298.15K	-2625.774631
HF Energy	-2625.401229
Nuclear repulsion energy	720.780293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	275	267	0.00
2	A₁'	245	237	0.00
3	A₂"	388	376	144.82
4	A₂"	214	208	9.40
5	E'	435	422	75.54
5	E'	435	422	75.54
6	E'	189	183	5.93
6	E'	189	183	5.93
7	E'	53	52	0.23
7	E'	53	52	0.23
8	E"	184	178	0.00
8	E"	184	178	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
Cl2	0.000	2.271	0.000
Cl3	1.966	-1.135	0.000
Cl4	-1.966	-1.135	0.000
Cl5	0.000	0.000	2.369
Cl6	0.000	0.000	-2.369

	P1	Cl2	Cl3	Cl4	Cl5	Cl6
P1		2.2705	2.2705	2.2705	2.3691	2.3691
Cl2	2.2705		3.9326	3.9326	3.2815	3.2815
Cl3	2.2705	3.9326		3.9326	3.2815	3.2815
Cl4	2.2705	3.9326	3.9326		3.2815	3.2815
Cl5	2.3691	3.2815	3.2815	3.2815		4.7383
Cl6	2.3691	3.2815	3.2815	3.2815	4.7383

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: QCISD/3-21G

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

using model chemistry: QCISD/3-21G

States and conformations

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