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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	-151.644424
Energy at 298.15K
HF Energy	-151.121671
Nuclear repulsion energy	52.436116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3504	3369
2	Σ	2356	2265
3	Σ	1360	1307
4	Π	606	583
4	Π	583	560
5	Π	415	399
5	Π	478i	459i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.027
C2	0.000	0.000	-1.248
O3	0.000	0.000	1.204
H4	0.000	0.000	-2.311

	C1	C2	O3	H4
C1		1.2748	1.1768	2.3387
C2	1.2748		2.4516	1.0639
O3	1.1768	2.4516		3.5155
H4	2.3387	1.0639	3.5155

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

using model chemistry: MP4=FULL/6-311G**

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	-151.650185
Energy at 298.15K
HF Energy	-151.118736
Nuclear repulsion energy	51.961908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3294	3167
2	A'	2311	2222
3	A'	1214	1167
4	A'	661	636
5	A'	588	566
6	A"	516	496

Atom	x (Å)	y (Å)
C1	0.000	0.056
C2	1.036	-0.775
O3	-1.037	0.598
H4	2.077	-0.477

	C1	C2	O3	H4
C1		1.3284	1.1701	2.1442
C2	1.3284		2.4869	1.0822
O3	1.1701	2.4869		3.2943
H4	2.1442	1.0822	3.2943