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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	-151.564816
Energy at 298.15K
HF Energy	-151.102085
Nuclear repulsion energy	51.686008

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
C2	0.000	0.000	-1.263
O3	0.000	0.000	1.223
H4	0.000	0.000	-2.338

	C1	C2	O3	H4
C1		1.2843	1.2011	2.3602
C2	1.2843		2.4853	1.0759
O3	1.2011	2.4853		3.5612
H4	2.3602	1.0759	3.5612

	hartrees
Energy at 0K	-151.570900
Energy at 298.15K
HF Energy	-151.102138
Nuclear repulsion energy	51.457994

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

using model chemistry: QCISD(T)/daug-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'	3272	3272
2	A'	2018	2018
3	A'	1176	1176
4	A'	631	631
5	A'	506	506
6	A"	477	477

Atom	x (Å)	y (Å)
C1	0.000	0.069
C2	1.138	-0.630
O3	-1.123	0.449
H4	2.154	-0.230

	C1	C2	O3	H4
C1		1.3358	1.1856	2.1746
C2	1.3358		2.5056	1.0912
O3	1.1856	2.5056		3.3467
H4	2.1746	1.0912	3.3467