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	hartrees
Energy at 0K	-1797.199707
Energy at 298.15K	-1797.201350
Nuclear repulsion energy	454.505332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1266	1259	97.81
2	A₁	431	429	15.37
3	A₁	242	241	0.68
4	E	531	529	211.33
4	E	531	529	211.27
5	E	303	302	4.12
5	E	303	302	4.12
6	E	172	171	0.03
6	E	172	171	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.445
O2	0.000	0.000	1.919
Cl3	0.000	1.859	-0.432
Cl4	1.610	-0.930	-0.432
Cl5	-1.610	-0.930	-0.432

	P1	O2	Cl3	Cl4	Cl5
P1		1.4739	2.0557	2.0557	2.0557
O2	1.4739		2.9970	2.9970	2.9970
Cl3	2.0557	2.9970		3.2206	3.2206
Cl4	2.0557	2.9970	3.2206		3.2206
Cl5	2.0557	2.9970	3.2206	3.2206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	115.239	O2	P1	Cl4	115.239
O2	P1	Cl5	115.239	Cl3	P1	Cl4	103.136
Cl3	P1	Cl5	103.136	Cl4	P1	Cl5	103.136

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.378
2	O	-0.130
3	Cl	-0.083
4	Cl	-0.083
5	Cl	-0.083

	x	y	z	Total
	0.000	0.000	-1.848	1.848
CHELPG
AIM
ESP

<r²>	252.591
(<r²>)^1/2	15.893

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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