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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	-151.629826
Energy at 298.15K
HF Energy	-151.134826
Nuclear repulsion energy	52.567474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3504	3320	114.77
2	Σ	2084	1974	199.35
3	Σ	1315	1246	24.25
4	Π	550	521	0.80
4	Π	499	473	2.40
5	Π	274	260	37.85
5	Π	484i	458i	144.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.018
C2	0.000	0.000	-1.239
O3	0.000	0.000	1.203
H4	0.000	0.000	-2.299

	C1	C2	O3	H4
C1		1.2567	1.1851	2.3171
C2	1.2567		2.4418	1.0604
O3	1.1851	2.4418		3.5022
H4	2.3171	1.0604	3.5022

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

using model chemistry: CCSD=FULL/TZVP

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	-151.631889
Energy at 298.15K
HF Energy	-151.133612
Nuclear repulsion energy	52.478140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3408	3229	47.61
2	A'	2073	1964	318.47
3	A'	1280	1213	7.57
4	A'	550	521	5.37
5	A'	446	423	263.75
6	A"	493	467	2.74

Atom	x (Å)	y (Å)
C1	0.000	0.053
C2	1.100	-0.614
O3	-1.095	0.476
H4	2.154	-0.439

	C1	C2	O3	H4
C1		1.2869	1.1734	2.2097
C2	1.2869		2.4507	1.0682
O3	1.1734	2.4507		3.3752
H4	2.2097	1.0682	3.3752