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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	-151.521968
Energy at 298.15K
HF Energy	-151.080464
Nuclear repulsion energy	52.236559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3511	3376
2	Σ	2375	2284
3	Σ	1399	1345
4	Π	590	567
4	Π	571	549
5	Π	367	353
5	Π	521i	501i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.023
C2	0.000	0.000	-1.250
O3	0.000	0.000	1.210
H4	0.000	0.000	-2.316

	C1	C2	O3	H4
C1		1.2731	1.1863	2.3395
C2	1.2731		2.4594	1.0665
O3	1.1863	2.4594		3.5259
H4	2.3395	1.0665	3.5259

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

using model chemistry: MP4=FULL/6-31G*

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	-151.527754
Energy at 298.15K
HF Energy	-151.077461
Nuclear repulsion energy	51.835983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3316	3189
2	A'	2385	2293
3	A'	1293	1243
4	A'	667	642
5	A'	609	586
6	A"	517	497

Atom	x (Å)	y (Å)
C1	0.000	0.054
C2	1.087	-0.701
O3	-1.079	0.528
H4	2.110	-0.349

	C1	C2	O3	H4
C1		1.3237	1.1785	2.1482
C2	1.3237		2.4906	1.0819
O3	1.1785	2.4906		3.3075
H4	2.1482	1.0819	3.3075