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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C*V	²Π
1	2	yes	CS	²A^"

	hartrees
Energy at 0K	-151.747586
Energy at 298.15K
HF Energy	-151.138616
Nuclear repulsion energy	52.502492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3469	3469
2	Σ	2107	2107
3	Σ	1297	1297
4	Π	566	566
4	Π	526	526
5	Π	403	403
5	Π	391i	391i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.021
C2	0.000	0.000	-1.242
O3	0.000	0.000	1.204
H4	0.000	0.000	-2.304

	C1	C2	O3	H4
C1		1.2632	1.1829	2.3250
C2	1.2632		2.4461	1.0619
O3	1.1829	2.4461		3.5079
H4	2.3250	1.0619	3.5079

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

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

States and conformations

Conformer 1 (C*V)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	hartrees
Energy at 0K	-151.750637
Energy at 298.15K
HF Energy	-151.138209
Nuclear repulsion energy	52.330563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3338	3338
2	A'	2096	2096
3	A'	1236	1236
4	A'	571	571
5	A'	512	512
6	A"	500	500

Atom	x (Å)	y (Å)
C1	0.000	0.055
C2	1.080	-0.673
O3	-1.075	0.517
H4	2.125	-0.432

	C1	C2	O3	H4
C1		1.3024	1.1704	2.1805
C2	1.3024		2.4619	1.0731
O3	1.1704	2.4619		3.3385
H4	2.1805	1.0731	3.3385