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	hartrees
Energy at 0K	-1797.352125
Energy at 298.15K	-1797.353819
HF Energy	-1797.352125
Nuclear repulsion energy	455.404732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1275	1257	140.83
2	A₁	424	418	21.75
3	A₁	255	251	1.99
4	E	526	518	266.70
4	E	526	518	266.66
5	E	308	304	3.81
5	E	308	304	3.81
6	E	181	178	0.00
6	E	181	178	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.438
O2	0.000	0.000	1.908
Cl3	0.000	1.859	-0.428
Cl4	1.610	-0.929	-0.428
Cl5	-1.610	-0.929	-0.428

	P1	O2	Cl3	Cl4	Cl5
P1		1.4705	2.0506	2.0506	2.0506
O2	1.4705		2.9856	2.9856	2.9856
Cl3	2.0506	2.9856		3.2198	3.2198
Cl4	2.0506	2.9856	3.2198		3.2198
Cl5	2.0506	2.9856	3.2198	3.2198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	114.606	O2	P1	Cl4	114.606
O2	P1	Cl5	114.606	Cl3	P1	Cl4	103.884
Cl3	P1	Cl5	103.884	Cl4	P1	Cl5	103.884

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

using model chemistry: B97D3/6-311G**

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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Number	Element	Mulliken
1	P	0.842
2	O	-0.423
3	Cl	-0.140
4	Cl	-0.140
5	Cl	-0.140

	x	y	z	Total
	0.000	0.000	-1.885	1.885
CHELPG
AIM
ESP

<r²>	253.272
(<r²>)^1/2	15.915

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

using model chemistry: B97D3/6-311G**

States and conformations

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