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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	-151.740755
Energy at 298.15K
HF Energy	-151.145991
Nuclear repulsion energy	52.400206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3475	3475
2	Σ	2081	2081
3	Σ	1276	1276
4	Π	553	553
4	Π	504	504
5	Π	432	432
5	Π	378i	378i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
C2	0.000	0.000	-1.245
O3	0.000	0.000	1.207
H4	0.000	0.000	-2.304

	C1	C2	O3	H4
C1		1.2645	1.1867	2.3243
C2	1.2645		2.4513	1.0598
O3	1.1867	2.4513		3.5110
H4	2.3243	1.0598	3.5110

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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	-151.744038
Energy at 298.15K
HF Energy	-151.145232
Nuclear repulsion energy	52.228182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3329	3329
2	A'	2063	2063
3	A'	1221	1221
4	A'	572	572
5	A'	521	521
6	A"	496	496

Atom	x (Å)	y (Å)
C1	0.000	0.058
C2	1.105	-0.636
O3	-1.096	0.477
H4	2.138	-0.349

	C1	C2	O3	H4
C1		1.3049	1.1736	2.1764
C2	1.3049		2.4668	1.0716
O3	1.1736	2.4668		3.3381
H4	2.1764	1.0716	3.3381