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	hartrees
Energy at 0K	-876.516898
Energy at 298.15K
HF Energy	-875.205366
Nuclear repulsion energy	133.826296

Atom	x (Å)	y (Å)
P1	0.000	0.825
O2	1.458	0.832
Cl3	-0.686	-1.119

	P1	O2	Cl3
P1		1.4581	2.0616
O2	1.4581		2.8993
Cl3	2.0616	2.8993

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

using model chemistry: CCSD=FULL/aug-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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