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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	-149.694739
Energy at 298.15K
HF Energy	-149.634721
Nuclear repulsion energy	50.812499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3701	3701	126.58	31.02	0.30	0.46
2	Σ	1917	1917	21.27	10.70	0.19	0.32
3	Σ	1156	1156	0.83	10.67	0.32	0.49
4	Π	606	606	6.83	0.27	0.75	0.86
4	Π	513	513	3.88	0.95	0.75	0.86
5	Π	425	425	0.39	1.01	0.75	0.86
5	Π	137	137	55.88	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.021
C2	0.000	0.000	-1.263
O3	0.000	0.000	1.256
H4	0.000	0.000	-2.340

	C1	C2	O3	H4
C1		1.2414	1.2773	2.3182
C2	1.2414		2.5187	1.0768
O3	1.2773	2.5187		3.5955
H4	2.3182	1.0768	3.5955

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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Atom	x (Å)	y (Å)
C1	0.000	0.022
C2	0.044	1.262
O3	-0.042	-1.256
H4	0.075	2.339

	C1	C2	O3	H4
C1		1.2414	1.2780	2.3184
C2	1.2414		2.5194	1.0770
O3	1.2780	2.5194		3.5964
H4	2.3184	1.0770	3.5964