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	hartrees
Energy at 0K	-1794.790929
Energy at 298.15K	-1794.792878
HF Energy	-1794.093887
Nuclear repulsion energy	462.713639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1307	1229	156.01
2	A₁	488	459	21.59
3	A₁	272	256	3.39
4	E	606	570	253.65
4	E	606	570	253.65
5	E	333	314	13.47
5	E	333	314	13.47
6	E	190	178	0.01
6	E	190	178	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.422
O2	0.000	0.000	1.900
Cl3	0.000	1.824	-0.422
Cl4	1.580	-0.912	-0.422
Cl5	-1.580	-0.912	-0.422

	P1	O2	Cl3	Cl4	Cl5
P1		1.4776	2.0100	2.0100	2.0100
O2	1.4776		2.9527	2.9527	2.9527
Cl3	2.0100	2.9527		3.1595	3.1595
Cl4	2.0100	2.9527	3.1595		3.1595
Cl5	2.0100	2.9527	3.1595	3.1595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	Cl3	114.834	O2	P1	Cl4	114.834
O2	P1	Cl5	114.834	Cl3	P1	Cl4	103.616
Cl3	P1	Cl5	103.616	Cl4	P1	Cl5	103.616

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

using model chemistry: MP2/6-31+G**

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	ESP
1	P	0.403	0.417
2	O	-0.440	-0.363
3	Cl	0.012	-0.017
4	Cl	0.012	-0.019
5	Cl	0.012	-0.018

	x	y	z	Total
	0.000	0.000	-2.394	2.394
CHELPG
AIM
ESP	-0.006	0.012	-2.360	2.361

<r²>	246.250
(<r²>)^1/2	15.692

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

using model chemistry: MP2/6-31+G**

States and conformations

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