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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	-151.541969
Energy at 298.15K
HF Energy	-151.094380
Nuclear repulsion energy	51.779286

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
C2	0.000	0.000	-1.260
O3	0.000	0.000	1.220
H4	0.000	0.000	-2.336

	C1	C2	O3	H4
C1		1.2822	1.1983	2.3585
C2	1.2822		2.4806	1.0762
O3	1.1983	2.4806		3.5568
H4	2.3585	1.0762	3.5568

	hartrees
Energy at 0K	-151.547344
Energy at 298.15K
HF Energy	-151.093682
Nuclear repulsion energy	51.572025

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

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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)
1	A'	3310	3174
2	A'	2050	1966
3	A'	1198	1149
4	A'	620	594
5	A'	518	496
6	A"	486	466

Atom	x (Å)	y (Å)
C1	0.000	0.069
C2	1.133	-0.629
O3	-1.120	0.452
H4	2.157	-0.251

	C1	C2	O3	H4
C1		1.3310	1.1834	2.1803
C2	1.3310		2.4989	1.0911
O3	1.1834	2.4989		3.3509
H4	2.1803	1.0911	3.3509