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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	-151.572643
Energy at 298.15K
HF Energy	-151.102297
Nuclear repulsion energy	51.723734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3433	3433
2	Σ	2061	2061
3	Σ	1259	1259
4	Π	542	542
4	Π	499	499
5	Π	240	240
5	Π	511i	511i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
C2	0.000	0.000	-1.262
O3	0.000	0.000	1.222
H4	0.000	0.000	-2.337

	C1	C2	O3	H4
C1		1.2834	1.2002	2.3585
C2	1.2834		2.4835	1.0751
O3	1.2002	2.4835		3.5587
H4	2.3585	1.0751	3.5587

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

using model chemistry: QCISD(T)=FULL/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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	hartrees
Energy at 0K	-151.578462
Energy at 298.15K
HF Energy	-151.102443
Nuclear repulsion energy	51.504175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3280	3280
2	A'	2024	2024
3	A'	1181	1181
4	A'	627	627
5	A'	508	508
6	A"	480	480

Atom	x (Å)	y (Å)
C1	0.000	0.068
C2	1.134	-0.635
O3	-1.119	0.456
H4	2.152	-0.247

	C1	C2	O3	H4
C1		1.3338	1.1849	2.1752
C2	1.3338		2.5034	1.0900
O3	1.1849	2.5034		3.3464
H4	2.1752	1.0900	3.3464