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	hartrees
Energy at 0K	-2638.958353
Energy at 298.15K	-2638.959918
HF Energy	-2638.121428
Nuclear repulsion energy	798.262171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	400	381	0.00
2	A₁'	293	279	0.00
3	A₂"	467	444	337.79
4	A₂"	311	297	9.02
5	E'	599	570	171.65
5	E'	599	570	171.65
6	E'	278	265	5.80
6	E'	278	265	5.80
7	E'	97	92	0.55
7	E'	97	92	0.55
8	E"	269	256	0.00
8	E"	269	256	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
Cl2	0.000	2.044	0.000
Cl3	1.771	-1.022	0.000
Cl4	-1.771	-1.022	0.000
Cl5	0.000	0.000	2.148
Cl6	0.000	0.000	-2.148

	P1	Cl2	Cl3	Cl4	Cl5	Cl6
P1		2.0444	2.0444	2.0444	2.1479	2.1479
Cl2	2.0444		3.5410	3.5410	2.9654	2.9654
Cl3	2.0444	3.5410		3.5410	2.9654	2.9654
Cl4	2.0444	3.5410	3.5410		2.9654	2.9654
Cl5	2.1479	2.9654	2.9654	2.9654		4.2959
Cl6	2.1479	2.9654	2.9654	2.9654	4.2959

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/6-31G*

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/6-31G*

States and conformations

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