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	hartrees
Energy at 0K	-876.785817
Energy at 298.15K	-876.786766
HF Energy	-876.785817
Nuclear repulsion energy	133.110613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1303	1303	104.20
2	A'	503	503	164.32
3	A'	308	308	3.93

Atom	x (Å)	y (Å)
P1	0.000	0.827
O2	1.462	0.850
Cl3	-0.688	-1.130

	P1	O2	Cl3
P1		1.4618	2.0747
O2	1.4618		2.9221
Cl3	2.0747	2.9221

Number	Element	Mulliken
1	P	0.523
2	O	-0.352
3	Cl	-0.171

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

using model chemistry: B3PW91/cc-pCVTZ

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
	-1.647	0.740	0.000	1.806
CHELPG
AIM
ESP

	x	y	z
x	5.240	1.389	0.000
y	1.389	6.779	0.000
z	0.000	0.000	3.639

<r²>	81.960
(<r²>)^1/2	9.053