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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	-151.568039
Energy at 298.15K
HF Energy	-151.102192
Nuclear repulsion energy	51.949869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3472	3386
2	Σ	2333	2275
3	Σ	1355	1322
4	Π	614	599
4	Π	560	546
5	Π	283	276
5	Π	485i	473i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.029
C2	0.000	0.000	-1.260
O3	0.000	0.000	1.215
H4	0.000	0.000	-2.334

	C1	C2	O3	H4
C1		1.2888	1.1862	2.3628
C2	1.2888		2.4750	1.0740
O3	1.1862	2.4750		3.5490
H4	2.3628	1.0740	3.5490

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

using model chemistry: MP4=FULL/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	-151.576910
Energy at 298.15K
HF Energy	-151.101069
Nuclear repulsion energy	51.420919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3252	3172
2	A'	2235	2180
3	A'	1172	1143
4	A'	737	719
5	A'	569	555
6	A"	491	479

Atom	x (Å)	y (Å)
C1	0.000	0.064
C2	1.085	-0.737
O3	-1.077	0.547
H4	2.105	-0.343

	C1	C2	O3	H4
C1		1.3483	1.1801	2.1446
C2	1.3483		2.5140	1.0939
O3	1.1801	2.5140		3.3045
H4	2.1446	1.0939	3.3045