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	hartrees
Energy at 0K	-1794.807865
Energy at 298.15K	-1794.809849
Nuclear repulsion energy	462.660234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1328	1254	154.81
2	A₁	496	468	19.55
3	A₁	278	263	4.07
4	E	622	587	249.72
4	E	622	587	249.72
5	E	340	321	15.49
5	E	340	321	15.49
6	E	191	181	0.01
6	E	191	181	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.422
O2	0.000	0.000	1.892
Cl3	0.000	1.827	-0.421
Cl4	1.582	-0.913	-0.421
Cl5	-1.582	-0.913	-0.421

	P1	O2	Cl3	Cl4	Cl5
P1		1.4700	2.0119	2.0119	2.0119
O2	1.4700		2.9474	2.9474	2.9474
Cl3	2.0119	2.9474		3.1641	3.1641
Cl4	2.0119	2.9474	3.1641		3.1641
Cl5	2.0119	2.9474	3.1641	3.1641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	114.774	O2	P1	Cl4	114.774
O2	P1	Cl5	114.774	Cl3	P1	Cl4	103.687
Cl3	P1	Cl5	103.687	Cl4	P1	Cl5	103.687

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

using model chemistry: CCSD/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 Cl3PO (Phosphoryl chloride)

using model chemistry: CCSD/6-31G*

States and conformations

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