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	hartrees
Energy at 0K	-1794.883865
Energy at 298.15K	-1794.885738
HF Energy	-1794.169500
Nuclear repulsion energy	457.920025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1296	1234	120.90
2	A₁	478	455	21.98
3	A₁	264	252	3.15
4	E	581	554	251.81
4	E	581	554	251.81
5	E	321	306	10.75
5	E	321	306	10.75
6	E	186	177	0.00
6	E	186	177	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.444
O2	0.000	0.000	1.932
Cl3	0.000	1.837	-0.433
Cl4	1.591	-0.918	-0.433
Cl5	-1.591	-0.918	-0.433

	P1	O2	Cl3	Cl4	Cl5
P1		1.4879	2.0352	2.0352	2.0352
O2	1.4879		2.9943	2.9943	2.9943
Cl3	2.0352	2.9943		3.1810	3.1810
Cl4	2.0352	2.9943	3.1810		3.1810
Cl5	2.0352	2.9943	3.1810	3.1810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	115.527	O2	P1	Cl4	115.527
O2	P1	Cl5	115.527	Cl3	P1	Cl4	102.794
Cl3	P1	Cl5	102.794	Cl4	P1	Cl5	102.794

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

using model chemistry: MP2/cc-pVDZ

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-pVDZ

States and conformations

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