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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	-151.502246
Energy at 298.15K
HF Energy	-151.083765
Nuclear repulsion energy	52.582813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3580	3580	149.61
2	Σ	2311	2311	656.80
3	Σ	1421	1421	41.46
4	Π	597	597	1.14
4	Π	559	559	12.31
5	Π	403	403	33.35
5	Π	436i	436i	155.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
C2	0.000	0.000	-1.241
O3	0.000	0.000	1.202
H4	0.000	0.000	-2.299

	C1	C2	O3	H4
C1		1.2629	1.1802	2.3209
C2	1.2629		2.4431	1.0580
O3	1.1802	2.4431		3.5011
H4	2.3209	1.0580	3.5011

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

using model chemistry: MP3=FULL/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	-151.505448
Energy at 298.15K
HF Energy	-151.082397
Nuclear repulsion energy	52.397534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3449	43.31
2	A'	2299	2299	662.97
3	A'	1350	1350	10.91
4	A'	608	608	18.78
5	A'	540	540	245.29
6	A"	526	526	5.55

Atom	x (Å)	y (Å)
C1	0.000	0.051
C2	1.057	-0.708
O3	-1.056	0.553
H4	2.102	-0.483

	C1	C2	O3	H4
C1		1.3017	1.1688	2.1692
C2	1.3017		2.4606	1.0687
O3	1.1688	2.4606		3.3237
H4	2.1692	1.0687	3.3237