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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	-27.070750
Energy at 298.15K
HF Energy	-27.070750
Nuclear repulsion energy	25.769495

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	3631	3273	78.45	34.62	0.32	0.49
2	Σ	1907	1719	0.26	58.27	0.27	0.43
3	Σ	1147	1034	1.92	6.32	0.23	0.37
4	Π	552	497	55.97	2.94	0.75	0.86
4	Π	471	424	30.45	3.89	0.75	0.86
5	Π	421	379	14.68	5.65	0.75	0.86
5	Π	376	339	105.08	30.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.003
C2	0.000	0.000	-1.270
O3	0.000	0.000	1.241
H4	0.000	0.000	-2.328

	C1	C2	O3	H4
C1		1.2726	1.2378	2.3314
C2	1.2726		2.5104	1.0588
O3	1.2378	2.5104		3.5692
H4	2.3314	1.0588	3.5692

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

using model chemistry: HF/CEP-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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3630	3273	78.47	34.60	0.32	0.49
2	A'	1907	1719	0.25	58.25	0.27	0.43
3	A'	1147	1034	1.93	6.36	0.23	0.37
4	A'	552	497	55.84	3.03	0.73	0.84
5	A'	376	339	105.23	30.71	0.75	0.85
6	A"	446	402	1.39	0.09	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	-0.003
C2	0.022	1.269
O3	-0.021	-1.241
H4	0.040	2.328

	C1	C2	O3	H4
C1		1.2727	1.2377	2.3315
C2	1.2727		2.5104	1.0588
O3	1.2377	2.5104		3.5693
H4	2.3315	1.0588	3.5693

Number	Element	Mulliken
1	C	-0.279
2	C	-0.081
3	O	-0.029
4	H	0.389

	x	y	z	Total
	0.000	0.000	-2.489	2.489
CHELPG
AIM
ESP

<r²>	31.638
(<r²>)^1/2	5.625

Number	Element	Mulliken
1	C	-0.279
2	C	-0.081
3	O	-0.029
4	H	0.389