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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	-151.643472
Energy at 298.15K
HF Energy	-151.140935
Nuclear repulsion energy	52.844772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3505	3272	160.84
2	Σ	2279	2128	784.56
3	Σ	1378	1287	31.46
4	Π	603	563	0.01
4	Π	567	529	11.14
5	Π	433	404	28.09
5	Π	400i	373i	137.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.025
C2	0.000	0.000	-1.236
O3	0.000	0.000	1.195
H4	0.000	0.000	-2.295

	C1	C2	O3	H4
C1		1.2617	1.1695	2.3207
C2	1.2617		2.4312	1.0591
O3	1.1695	2.4312		3.4903
H4	2.3207	1.0591	3.4903

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

using model chemistry: CCD/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	-151.646623
Energy at 298.15K
HF Energy	-151.140515
Nuclear repulsion energy	52.607989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3134	46.18
2	A'	2237	2089	759.94
3	A'	1279	1195	1.00
4	A'	613	573	46.68
5	A'	527	492	239.86
6	A"	529	494	5.99

Atom	x (Å)	y (Å)
C1	0.000	0.051
C2	0.990	-0.795
O3	-0.999	0.638
H4	2.051	-0.641

	C1	C2	O3	H4
C1		1.3030	1.1588	2.1644
C2	1.3030		2.4523	1.0714
O3	1.1588	2.4523		3.3073
H4	2.1644	1.0714	3.3073