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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	-151.687418
Energy at 298.15K
HF Energy	-151.141061
Nuclear repulsion energy	52.321297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3452	3348
2	Σ	2083	2020
3	Σ	1286	1248
4	Π	554	538
4	Π	507	492
5	Π	383	371
5	Π	426i	413i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
C2	0.000	0.000	-1.246
O3	0.000	0.000	1.208
H4	0.000	0.000	-2.309

	C1	C2	O3	H4
C1		1.2663	1.1885	2.3288
C2	1.2663		2.4547	1.0625
O3	1.1885	2.4547		3.5172
H4	2.3288	1.0625	3.5172

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

using model chemistry: CCSD(T)/aug-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	-151.691211
Energy at 298.15K
HF Energy	-151.140338
Nuclear repulsion energy	52.129837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3312	3212
2	A'	2069	2007
3	A'	1220	1183
4	A'	579	561
5	A'	518	502
6	A"	489	474

Atom	x (Å)	y (Å)
C1	0.000	0.059
C2	1.111	-0.633
O3	-1.101	0.470
H4	2.140	-0.319

	C1	C2	O3	H4
C1		1.3093	1.1749	2.1728
C2	1.3093		2.4718	1.0751
O3	1.1749	2.4718		3.3351
H4	2.1728	1.0751	3.3351