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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	-151.689544
Energy at 298.15K
HF Energy	-151.141384
Nuclear repulsion energy	52.441169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3468	3375
2	Σ	2338	2275
3	Σ	1342	1306
4	Π	581	566
4	Π	557	542
5	Π	396	385
5	Π	496i	483i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
C2	0.000	0.000	-1.247
O3	0.000	0.000	1.204
H4	0.000	0.000	-2.308

	C1	C2	O3	H4
C1		1.2730	1.1782	2.3345
C2	1.2730		2.4512	1.0615
O3	1.1782	2.4512		3.5127
H4	2.3345	1.0615	3.5127

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

using model chemistry: MP4/aug-cc-pVTZ

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	-151.695683
Energy at 298.15K
HF Energy	-151.139548
Nuclear repulsion energy	52.000525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3282	3194
2	A'	2257	2196
3	A'	1200	1168
4	A'	672	654
5	A'	569	554
6	A"	504	491

Atom	x (Å)	y (Å)
C1	0.000	0.056
C2	1.067	-0.728
O3	-1.062	0.553
H4	2.092	-0.394

	C1	C2	O3	H4
C1		1.3241	1.1720	2.1402
C2	1.3241		2.4841	1.0782
O3	1.1720	2.4841		3.2930
H4	2.1402	1.0782	3.2930