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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	-151.289582
Energy at 298.15K
HF Energy	-151.012782
Nuclear repulsion energy	51.937766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3481	3340	81.73
2	Σ	1951	1872	72.94
3	Σ	1433	1375	29.99
4	Π	551	529	0.63
4	Π	498	478	0.91
5	Π	396	380	38.91
5	Π	233i	223i	190.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.011
C2	0.000	0.000	-1.250
O3	0.000	0.000	1.219
H4	0.000	0.000	-2.320

	C1	C2	O3	H4
C1		1.2613	1.2083	2.3307
C2	1.2613		2.4696	1.0694
O3	1.2083	2.4696		3.5390
H4	2.3307	1.0694	3.5390

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

using model chemistry: CCD/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	-151.289641
Energy at 298.15K
HF Energy	-151.012353
Nuclear repulsion energy	51.968302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3482	3341	80.09
2	A'	1958	1879	108.75
3	A'	1459	1400	28.04
4	A'	565	542	2.14
5	A'	294	282	220.11
6	A"	1019	977	9176.06

Atom	x (Å)	y (Å)
C1	0.000	0.020
C2	1.010	-0.738
O3	-1.004	0.688
H4	1.974	-1.202

	C1	C2	O3	H4
C1		1.2632	1.2062	2.3215
C2	1.2632		2.4683	1.0693
O3	1.2062	2.4683		3.5272
H4	2.3215	1.0693	3.5272