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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	-151.579008
Energy at 298.15K
HF Energy	-151.117840
Nuclear repulsion energy	52.163929

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
C2	0.000	0.000	-1.250
O3	0.000	0.000	1.212
H4	0.000	0.000	-2.317

	C1	C2	O3	H4
C1		1.2705	1.1914	2.3380
C2	1.2705		2.4618	1.0675
O3	1.1914	2.4618		3.5293
H4	2.3380	1.0675	3.5293

	hartrees
Energy at 0K	-151.583190
Energy at 298.15K
HF Energy	-151.116850
Nuclear repulsion energy	51.943076

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

using model chemistry: QCISD(T)/6-311G*

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'	3301	3179
2	A'	2058	1981
3	A'	1207	1163
4	A'	577	556
5	A'	532	513
6	A"	505	486

Atom	x (Å)	y (Å)
C1	0.000	0.062
C2	1.117	-0.631
O3	-1.107	0.467
H4	2.153	-0.327

	C1	C2	O3	H4
C1		1.3142	1.1785	2.1878
C2	1.3142		2.4798	1.0801
O3	1.1785	2.4798		3.3550
H4	2.1878	1.0801	3.3550