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	hartrees
Energy at 0K	-1795.236320
Energy at 298.15K	-1795.238295
HF Energy	-1794.280620
Nuclear repulsion energy	466.788831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1335	1271	127.26
2	A₁	496	472	16.42
3	A₁	271	258	1.24
4	E	604	575	239.28
4	E	604	575	239.28
5	E	337	320	11.42
5	E	337	320	11.42
6	E	192	183	0.07
6	E	192	183	0.07

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.426
O2	0.000	0.000	1.888
Cl3	0.000	1.811	-0.421
Cl4	1.568	-0.905	-0.421
Cl5	-1.568	-0.905	-0.421

	P1	O2	Cl3	Cl4	Cl5
P1		1.4622	1.9990	1.9990	1.9990
O2	1.4622		2.9345	2.9345	2.9345
Cl3	1.9990	2.9345		3.1360	3.1360
Cl4	1.9990	2.9345	3.1360		3.1360
Cl5	1.9990	2.9345	3.1360	3.1360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	115.076	O2	P1	Cl4	115.076
O2	P1	Cl5	115.076	Cl3	P1	Cl4	103.330
Cl3	P1	Cl5	103.330	Cl4	P1	Cl5	103.330

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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