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	hartrees
Energy at 0K	-876.765576
Energy at 298.15K	-876.766419
HF Energy	-876.765576
Nuclear repulsion energy	128.827224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1198	1189	82.50
2	A'	450	446	131.44
3	A'	272	270	4.97

Atom	x (Å)	y (Å)
P1	0.000	0.852
O2	1.498	0.909
Cl3	-0.705	-1.179

	P1	O2	Cl3
P1		1.4995	2.1496
O2	1.4995		3.0359
Cl3	2.1496	3.0359

Number	Element	Mulliken
1	P	0.599
2	O	-0.368
3	Cl	-0.230

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

using model chemistry: BLYP/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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	x	y	z	Total
	-1.221	1.310	0.000	1.791
CHELPG
AIM
ESP

	x	y	z
x	4.797	1.781	0.000
y	1.781	6.696	0.000
z	0.000	0.000	2.864

<r²>	86.854
(<r²>)^1/2	9.320