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

	hartrees
Energy at 0K	-150.517964
Energy at 298.15K
HF Energy	-150.242135
Nuclear repulsion energy	52.149913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3480	3383	70.89
2	Σ	1929	1876	38.98
3	Σ	1402	1363	20.80
4	Π	647	629	25.84
4	Π	614	597	5.32
5	Π	518	504	11.72
5	Π	340	331	176.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.009
C2	0.000	0.000	-1.244
O3	0.000	0.000	1.215
H4	0.000	0.000	-2.308

	C1	C2	O3	H4
C1		1.2528	1.2062	2.3169
C2	1.2528		2.4590	1.0641
O3	1.2062	2.4590		3.5231
H4	2.3169	1.0641	3.5231

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

using model chemistry: CCD/3-21G

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3383	70.77
2	A'	1928	1875	38.21
3	A'	1401	1363	20.75
4	A'	615	598	5.30
5	A'	342	332	176.28
6	A"	556	541	6.31

	C1	C2	O3	H4
C1		1.2528	1.2064	2.3169
C2	1.2528		2.4591	1.0641
O3	1.2064	2.4591		3.5233
H4	2.3169	1.0641	3.5233