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	hartrees
Energy at 0K	-572.984852
Energy at 298.15K
HF Energy	-572.256675
Nuclear repulsion energy	79.232065

Atom	x (Å)	y (Å)
Cl1	-0.498	-0.891
C2	0.000	0.825
O3	1.059	1.276

	Cl1	C2	O3
Cl1		1.7874	2.6688
C2	1.7874		1.1511
O3	2.6688	1.1511

All results from a given calculation for ClCO (carbonyl monochloride)

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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