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	hartrees
Energy at 0K	-866.540952
Energy at 298.15K	-866.541833
HF Energy	-866.540952
Nuclear repulsion energy	127.814321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1248	1101	29.56
2	A'	531	469	83.07
3	A'	318	281	6.66

Atom	x (Å)	y (Å)
P1	0.000	0.906
O2	1.521	0.760
Cl3	-0.716	-1.157

	P1	O2	Cl3
P1		1.5276	2.1830
O2	1.5276		2.9456
Cl3	2.1830	2.9456

Number	Element	Mulliken
1	P	0.635
2	O	-0.275
3	Cl	-0.359

All results from a given calculation for OPCl (Phosphorus oxychloride)

using model chemistry: PBE1PBE/STO-3G

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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	x	y	z	Total
	0.239	3.058	0.000	3.067
CHELPG
AIM
ESP

	x	y	z
x	2.555	1.333	0.000
y	1.333	3.389	0.000
z	0.000	0.000	0.911

<r²>	84.232
(<r²>)^1/2	9.178