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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	-151.501412
Energy at 298.15K
HF Energy	-151.082534
Nuclear repulsion energy	52.134562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3535	3297	106.76
2	Σ	2100	1959	134.21
3	Σ	1312	1224	22.68
4	Π	550	513	0.00
4	Π	503	469	4.58
5	Π	314	293	33.11
5	Π	435i	406i	130.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.015
C2	0.000	0.000	-1.249
O3	0.000	0.000	1.214
H4	0.000	0.000	-2.310

	C1	C2	O3	H4
C1		1.2643	1.1984	2.3257
C2	1.2643		2.4627	1.0614
O3	1.1984	2.4627		3.5241
H4	2.3257	1.0614	3.5241

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

using model chemistry: CCSD/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	-151.504145
Energy at 298.15K
HF Energy	-151.081324
Nuclear repulsion energy	52.023503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3201	33.18
2	A'	2079	1939	247.18
3	A'	1272	1186	6.77
4	A'	537	501	12.51
5	A'	510	476	233.72
6	A"	485	452	3.59

Atom	x (Å)	y (Å)
C1	0.000	0.060
C2	1.157	-0.532
O3	-1.141	0.382
H4	2.182	-0.225

	C1	C2	O3	H4
C1		1.2997	1.1852	2.2007
C2	1.2997		2.4729	1.0700
O3	1.1852	2.4729		3.3777
H4	2.2007	1.0700	3.3777