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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	-150.534901
Energy at 298.15K
HF Energy	-150.241203
Nuclear repulsion energy	51.452339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3450	3316	68.72
2	Σ	1963	1886	22.89
3	Σ	1220	1173	12.80
4	Π	589	566	16.50
4	Π	549	527	0.52
5	Π	447	429	18.73
5	Π	268	257	141.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	-1.258
O3	0.000	0.000	1.234
H4	0.000	0.000	-2.324

	C1	C2	O3	H4
C1		1.2586	1.2337	2.3244
C2	1.2586		2.4923	1.0658
O3	1.2337	2.4923		3.5581
H4	2.3244	1.0658	3.5581

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

using model chemistry: QCISD/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'	3450	3316	68.63
2	A'	1962	1885	22.58
3	A'	1219	1172	12.79
4	A'	549	528	0.37
5	A'	269	258	141.93
6	A"	501	482	8.35

	C1	C2	O3	H4
C1		1.2585	1.2340	2.3244
C2	1.2585		2.4925	1.0659
O3	1.2340	2.4925		3.5584
H4	2.3244	1.0659	3.5584