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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	-150.495668
Energy at 298.15K
HF Energy	-150.242443
Nuclear repulsion energy	52.282933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3532	3291	74.81
2	Σ	1939	1806	29.51
3	Σ	1388	1293	19.22
4	Π	651	606	26.87
4	Π	620	577	6.97
5	Π	523	487	11.30
5	Π	383	357	179.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.008
C2	0.000	0.000	-1.241
O3	0.000	0.000	1.212
H4	0.000	0.000	-2.301

	C1	C2	O3	H4
C1		1.2483	1.2044	2.3084
C2	1.2483		2.4527	1.0600
O3	1.2044	2.4527		3.5127
H4	2.3084	1.0600	3.5127

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

using model chemistry: CID/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'	3532	3291	74.78
2	A'	1938	1806	29.35
3	A'	1388	1293	19.20
4	A'	620	578	6.81
5	A'	384	357	180.11
6	A"	627	584	20.34