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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	-151.504142
Energy at 298.15K
HF Energy	-151.082305
Nuclear repulsion energy	52.077541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3534	3327	107.63
2	Σ	2112	1988	134.55
3	Σ	1306	1230	20.22
4	Π	547	515	0.00
4	Π	503	474	4.81
5	Π	300	283	33.29
5	Π	451i	424i	131.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.015
C2	0.000	0.000	-1.250
O3	0.000	0.000	1.215
H4	0.000	0.000	-2.312

	C1	C2	O3	H4
C1		1.2659	1.1998	2.3273
C2	1.2659		2.4657	1.0614
O3	1.1998	2.4657		3.5271
H4	2.3273	1.0614	3.5271

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

using model chemistry: QCISD/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	-151.507194
Energy at 298.15K
HF Energy	-151.080857
Nuclear repulsion energy	51.936933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3424	3224	29.89
2	A'	2084	1961	239.19
3	A'	1256	1183	6.76
4	A'	532	501	66.09
5	A'	528	497	174.38
6	A"	478	450	5.16

Atom	x (Å)	y (Å)
C1	0.000	0.062
C2	1.166	-0.521
O3	-1.147	0.367
H4	2.183	-0.186

	C1	C2	O3	H4
C1		1.3030	1.1871	2.1968
C2	1.3030		2.4773	1.0706
O3	1.1871	2.4773		3.3755
H4	2.1968	1.0706	3.3755