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	hartrees
Energy at 0K	-1795.265423
Energy at 298.15K
Nuclear repulsion energy	466.363522

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.427
O2	0.000	0.000	1.883
Cl3	0.000	1.809	-0.421
Cl4	1.567	-0.905	-0.421
Cl5	-1.567	-0.905	-0.421

	P1	O2	Cl3	Cl4	Cl5
P1		1.4566	1.9977	1.9977	1.9977
O2	1.4566		2.9294	2.9294	2.9294
Cl3	1.9977	2.9294		3.1333	3.1333
Cl4	1.9977	2.9294	3.1333		3.1334
Cl5	1.9977	2.9294	3.1333	3.1334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	115.103	O2	P1	Cl4	115.103
O2	P1	Cl5	115.103	Cl3	P1	Cl4	103.299
Cl3	P1	Cl5	103.299	Cl4	P1	Cl5	103.299

All results from a given calculation for Cl₃PO (Phosphoryl chloride)

using model chemistry: MP2/cc-pV(T+d)Z

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 Cl3PO (Phosphoryl chloride)

using model chemistry: MP2/cc-pV(T+d)Z

States and conformations

All results from a given calculation for Cl₃PO (Phosphoryl chloride)