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	hartrees
Energy at 0K	-1794.687830
Energy at 298.15K	-1794.689918
HF Energy	-1794.089906
Nuclear repulsion energy	465.380930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1380	1278	190.23
2	A₁	515	477	19.80
3	A₁	287	266	4.50
4	E	643	595	273.93
4	E	643	595	273.93
5	E	354	328	18.63
5	E	354	328	18.63
6	E	199	184	0.01
6	E	199	184	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.418
O2	0.000	0.000	1.875
Cl3	0.000	1.818	-0.417
Cl4	1.575	-0.909	-0.417
Cl5	-1.575	-0.909	-0.417

	P1	O2	Cl3	Cl4	Cl5
P1		1.4565	2.0011	2.0011	2.0011
O2	1.4565		2.9257	2.9257	2.9257
Cl3	2.0011	2.9257		3.1493	3.1493
Cl4	2.0011	2.9257	3.1493		3.1493
Cl5	2.0011	2.9257	3.1493	3.1493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	114.682	O2	P1	Cl4	114.682
O2	P1	Cl5	114.682	Cl3	P1	Cl4	103.794
Cl3	P1	Cl5	103.794	Cl4	P1	Cl5	103.794

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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