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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	-151.560488
Energy at 298.15K
HF Energy	-151.102031
Nuclear repulsion energy	51.917438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3510	3429
2	Σ	2372	2317
3	Σ	1399	1367
4	Π	584	571
4	Π	548	535
5	Π	80i	78i
5	Π	543i	530i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.029
C2	0.000	0.000	-1.261
O3	0.000	0.000	1.216
H4	0.000	0.000	-2.335

	C1	C2	O3	H4
C1		1.2897	1.1869	2.3644
C2	1.2897		2.4765	1.0747
O3	1.1869	2.4765		3.5512
H4	2.3644	1.0747	3.5512

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

using model chemistry: MP4/aug-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	-151.569642
Energy at 298.15K
HF Energy	-151.100752
Nuclear repulsion energy	51.373930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3309	3232
2	A'	2382	2327
3	A'	1291	1261
4	A'	680	664
5	A'	609	595
6	A"	509	498

Atom	x (Å)	y (Å)
C1	0.000	0.065
C2	1.089	-0.733
O3	-1.080	0.542
H4	2.107	-0.330

	C1	C2	O3	H4
C1		1.3503	1.1808	2.1442
C2	1.3503		2.5164	1.0951
O3	1.1808	2.5164		3.3049
H4	2.1442	1.0951	3.3049