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	hartrees
Energy at 0K	-1797.370071
Energy at 298.15K	-1797.371971
Nuclear repulsion energy	462.615948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1331	1271	146.93
2	A₁	480	459	19.81
3	A₁	267	255	3.04
4	E	599	572	257.82
4	E	599	572	257.79
5	E	330	315	10.32
5	E	330	315	10.32
6	E	184	176	0.02
6	E	184	176	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.424
O2	0.000	0.000	1.890
Cl3	0.000	1.828	-0.421
Cl4	1.583	-0.914	-0.421
Cl5	-1.583	-0.914	-0.421

	P1	O2	Cl3	Cl4	Cl5
P1		1.4661	2.0133	2.0133	2.0133
O2	1.4661		2.9461	2.9461	2.9461
Cl3	2.0133	2.9461		3.1654	3.1654
Cl4	2.0133	2.9461	3.1654		3.1654
Cl5	2.0133	2.9461	3.1654	3.1654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	114.803	O2	P1	Cl4	114.803
O2	P1	Cl5	114.803	Cl3	P1	Cl4	103.652
Cl3	P1	Cl5	103.652	Cl4	P1	Cl5	103.652

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

using model chemistry: B1B95/6-31G**

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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Number	Element	Mulliken
1	P	0.633
2	O	-0.410
3	Cl	-0.074
4	Cl	-0.074
5	Cl	-0.074

	x	y	z	Total
	0.000	0.000	-2.089	2.089
CHELPG
AIM
ESP

<r²>	245.516
(<r²>)^1/2	15.669

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

using model chemistry: B1B95/6-31G**

States and conformations

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