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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	-151.715588
Energy at 298.15K
HF Energy	-151.143058
Nuclear repulsion energy	52.789432

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.021
C2	0.000	0.000	-1.235
O3	0.000	0.000	1.197
H4	0.000	0.000	-2.293

	C1	C2	O3	H4
C1		1.2563	1.1762	2.3140
C2	1.2563		2.4324	1.0577
O3	1.1762	2.4324		3.4902
H4	2.3140	1.0577	3.4902

	hartrees
Energy at 0K	-151.717292
Energy at 298.15K
HF Energy	-151.143013
Nuclear repulsion energy	52.683951

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

using model chemistry: CCSD=FULL/daug-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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3382	3382	50.50
2	A'	2108	2108	381.53
3	A'	1279	1279	4.64
4	A'	573	573	3.45
5	A'	407	407	261.09
6	A"	514	514	2.40

Atom	x (Å)	y (Å)
C1	0.000	0.051
C2	1.053	-0.689
O3	-1.054	0.548
H4	2.110	-0.555

	C1	C2	O3	H4
C1		1.2878	1.1649	2.1954
C2	1.2878		2.4436	1.0649
O3	1.1649	2.4436		3.3505
H4	2.1954	1.0649	3.3505