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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	-151.652697
Energy at 298.15K
HF Energy	-151.142687
Nuclear repulsion energy	52.829140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3490	3340	165.00
2	Σ	2275	2177	865.07
3	Σ	1375	1316	32.53
4	Π	599	573	0.15
4	Π	563	538	8.91
5	Π	428	410	25.68
5	Π	400i	383i	126.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
C2	0.000	0.000	-1.237
O3	0.000	0.000	1.195
H4	0.000	0.000	-2.296

	C1	C2	O3	H4
C1		1.2623	1.1696	2.3220
C2	1.2623		2.4319	1.0597
O3	1.1696	2.4319		3.4916
H4	2.3220	1.0597	3.4916

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

using model chemistry: CCD/aug-cc-pVTZ

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	-151.655975
Energy at 298.15K
HF Energy	-151.142377
Nuclear repulsion energy	52.589963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3203	47.53
2	A'	2228	2133	812.48
3	A'	1275	1220	0.86
4	A'	613	587	47.54
5	A'	524	501	241.15
6	A"	526	504	4.82

Atom	x (Å)	y (Å)
C1	0.000	0.051
C2	0.987	-0.801
O3	-0.996	0.643
H4	2.048	-0.645

	C1	C2	O3	H4
C1		1.3040	1.1589	2.1630
C2	1.3040		2.4534	1.0724
O3	1.1589	2.4534		3.3055
H4	2.1630	1.0724	3.3055