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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	-151.447755
Energy at 298.15K
HF Energy	-151.081772
Nuclear repulsion energy	52.685510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3580	3306	145.68
2	Σ	2297	2122	565.98
3	Σ	1420	1312	37.26
4	Π	602	556	1.34
4	Π	562	519	12.85
5	Π	378	349	35.90
5	Π	395i	364i	166.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
C2	0.000	0.000	-1.238
O3	0.000	0.000	1.199
H4	0.000	0.000	-2.299

	C1	C2	O3	H4
C1		1.2598	1.1775	2.3211
C2	1.2598		2.4373	1.0613
O3	1.1775	2.4373		3.4985
H4	2.3211	1.0613	3.4985

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

using model chemistry: CID/6-31G*

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	-151.449817
Energy at 298.15K
HF Energy	-151.080985
Nuclear repulsion energy	52.544576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3471	3206	57.97
2	A'	2301	2125	697.49
3	A'	1365	1261	5.18
4	A'	608	561	18.04
5	A'	457	422	318.26
6	A"	534	493	9.48

Atom	x (Å)	y (Å)
C1	0.000	0.047
C2	1.012	-0.757
O3	-1.019	0.615
H4	2.078	-0.664

	C1	C2	O3	H4
C1		1.2930	1.1666	2.1960
C2	1.2930		2.4515	1.0695
O3	1.1666	2.4515		3.3505
H4	2.1960	1.0695	3.3505