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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	-151.655634
Energy at 298.15K
HF Energy	-151.143147
Nuclear repulsion energy	52.860198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3503	3503	161.42
2	Σ	2262	2262	801.76
3	Σ	1382	1382	33.41
4	Π	600	600	0.29
4	Π	555	555	6.47
5	Π	438	438	29.69
5	Π	407i	407i	126.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
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		1.2616	1.1689	2.3206
C2	1.2616		2.4305	1.0591
O3	1.1689	2.4305		3.4896
H4	2.3206	1.0591	3.4896

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

using model chemistry: MP3/daug-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	-151.658935
Energy at 298.15K
HF Energy	-151.142839
Nuclear repulsion energy	52.637101

Atom	x (Å)	y (Å)
C1	0.000	0.052
C2	0.998	-0.784
O3	-1.006	0.626
H4	2.057	-0.619

	C1	C2	O3	H4
C1		1.3025	1.1580	2.1639
C2	1.3025		2.4506	1.0715
O3	1.1580	2.4506		3.3064
H4	2.1639	1.0715	3.3064