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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	-151.273777
Energy at 298.15K
HF Energy	-151.013151
Nuclear repulsion energy	51.799168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3525	3306	82.35
2	Σ	1969	1847	36.75
3	Σ	1337	1254	21.50
4	Π	525	492	2.68
4	Π	472	442	0.05
5	Π	360	337	38.16
5	Π	207i	194i	169.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.006
C2	0.000	0.000	-1.252
O3	0.000	0.000	1.224
H4	0.000	0.000	-2.317

	C1	C2	O3	H4
C1		1.2578	1.2182	2.3230
C2	1.2578		2.4760	1.0652
O3	1.2182	2.4760		3.5411
H4	2.3230	1.0652	3.5411

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

using model chemistry: CISD/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	-151.273818
Energy at 298.15K
HF Energy	-151.012765
Nuclear repulsion energy	51.807630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	3306	78.82
2	A'	1967	1845	48.71
3	A'	1349	1265	20.06
4	A'	535	502	4.57
5	A'	270	253	182.78
6	A"	675	633	801.45

Atom	x (Å)	y (Å)
C1	0.000	0.019
C2	1.173	-0.440
O3	-1.157	0.396
H4	2.219	-0.642

	C1	C2	O3	H4
C1		1.2596	1.2169	2.3152
C2	1.2596		2.4755	1.0652
O3	1.2169	2.4755		3.5319
H4	2.3152	1.0652	3.5319