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	hartrees
Energy at 0K	-1795.700009
Energy at 298.15K	-1795.702024
Nuclear repulsion energy	468.239587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1349	1279	119.02
2	A₁	502	476	15.96
3	A₁	273	259	1.17
4	E	612	580	239.05
4	E	612	580	239.05
5	E	339	321	11.65
5	E	339	321	11.65
6	E	194	184	0.05
6	E	194	184	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.424
O2	0.000	0.000	1.877
Cl3	0.000	1.801	-0.419
Cl4	1.560	-0.901	-0.419
Cl5	-1.560	-0.901	-0.419

	P1	O2	Cl3	Cl4	Cl5
P1		1.4527	1.9892	1.9892	1.9892
O2	1.4527		2.9185	2.9185	2.9185
Cl3	1.9892	2.9185		3.1203	3.1203
Cl4	1.9892	2.9185	3.1203		3.1203
Cl5	1.9892	2.9185	3.1203	3.1203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	115.089	O2	P1	Cl4	115.089
O2	P1	Cl5	115.089	Cl3	P1	Cl4	103.314
Cl3	P1	Cl5	103.314	Cl4	P1	Cl5	103.315

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

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

States and conformations

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