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	hartrees
Energy at 0K	-1795.213528
Energy at 298.15K	-1795.215506
HF Energy	-1794.197468
Nuclear repulsion energy	463.521801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1344	1273	148.68
2	A₁	479	454	24.55
3	A₁	281	266	3.80
4	E	591	560	280.43
4	E	591	560	280.43
5	E	338	320	10.44
5	E	338	320	10.44
6	E	200	189	0.00
6	E	200	189	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.427
O2	0.000	0.000	1.888
Cl3	0.000	1.823	-0.422
Cl4	1.579	-0.911	-0.422
Cl5	-1.579	-0.911	-0.422

	P1	O2	Cl3	Cl4	Cl5
P1		1.4613	2.0104	2.0104	2.0104
O2	1.4613		2.9422	2.9422	2.9422
Cl3	2.0104	2.9422		3.1570	3.1570
Cl4	2.0104	2.9422	3.1570		3.1570
Cl5	2.0104	2.9422	3.1570	3.1570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	114.956	O2	P1	Cl4	114.956
O2	P1	Cl5	114.956	Cl3	P1	Cl4	103.472
Cl3	P1	Cl5	103.472	Cl4	P1	Cl5	103.472

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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