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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	-151.612570
Energy at 298.15K
HF Energy	-151.099263
Nuclear repulsion energy	52.381109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3506	3506
2	Σ	2128	2128
3	Σ	1301	1301
4	Π	569	569
4	Π	526	526
5	Π	391	391
5	Π	459i	459i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.019
C2	0.000	0.000	-1.244
O3	0.000	0.000	1.207
H4	0.000	0.000	-2.306

	C1	C2	O3	H4
C1		1.2632	1.1882	2.3251
C2	1.2632		2.4514	1.0619
O3	1.1882	2.4514		3.5133
H4	2.3251	1.0619	3.5133

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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	-151.615982
Energy at 298.15K
HF Energy	-151.098384
Nuclear repulsion energy	52.186629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3367	3367
2	A'	2109	2109
3	A'	1242	1242
4	A'	573	573
5	A'	523	523
6	A"	511	511

Atom	x (Å)	y (Å)
C1	0.000	0.056
C2	1.105	-0.636
O3	-1.096	0.480
H4	2.142	-0.356

	C1	C2	O3	H4
C1		1.3037	1.1756	2.1816
C2	1.3037		2.4681	1.0747
O3	1.1756	2.4681		3.3449
H4	2.1816	1.0747	3.3449