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	hartrees
Energy at 0K	-151.787282
Energy at 298.15K
HF Energy	-151.152237
Nuclear repulsion energy	52.826213

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
C2	0.000	0.000	-1.234
O3	0.000	0.000	1.197
H4	0.000	0.000	-2.291

	C1	C2	O3	H4
C1		1.2542	1.1762	2.3114
C2	1.2542		2.4304	1.0572
O3	1.1762	2.4304		3.4876
H4	2.3114	1.0572	3.4876

All results from a given calculation for HCCO (ketenyl radical)

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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