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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	-151.652161
Energy at 298.15K
HF Energy	-151.140239
Nuclear repulsion energy	52.567537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3489	3284	119.21
2	Σ	2093	1970	217.06
3	Σ	1313	1236	21.50
4	Π	574	541	0.33
4	Π	524	493	5.60
5	Π	401	378	29.06
5	Π	378i	356i	122.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
C2	0.000	0.000	-1.240
O3	0.000	0.000	1.203
H4	0.000	0.000	-2.300

	C1	C2	O3	H4
C1		1.2598	1.1829	2.3197
C2	1.2598		2.4427	1.0599
O3	1.1829	2.4427		3.5025
H4	2.3197	1.0599	3.5025

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

using model chemistry: CCSD/cc-pVTZ

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	-151.654622
Energy at 298.15K
HF Energy	-151.139920
Nuclear repulsion energy	52.432628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3168	40.98
2	A'	2086	1963	350.33
3	A'	1260	1186	4.07
4	A'	576	542	15.55
5	A'	484	456	255.57
6	A"	507	477	3.35

Atom	x (Å)	y (Å)
C1	0.000	0.054
C2	1.073	-0.676
O3	-1.070	0.525
H4	2.123	-0.467

	C1	C2	O3	H4
C1		1.2975	1.1692	2.1855
C2	1.2975		2.4565	1.0703
O3	1.1692	2.4565		3.3432
H4	2.1855	1.0703	3.3432