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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	-151.612528
Energy at 298.15K
HF Energy	-151.122957
Nuclear repulsion energy	52.818966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3537	3537	153.08
2	Σ	2269	2269	676.70
3	Σ	1392	1392	32.84
4	Π	617	617	0.43
4	Π	577	577	12.76
5	Π	456	456	26.75
5	Π	387i	387i	151.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
C2	0.000	0.000	-1.237
O3	0.000	0.000	1.195
H4	0.000	0.000	-2.298

	C1	C2	O3	H4
C1		1.2630	1.1693	2.3243
C2	1.2630		2.4323	1.0612
O3	1.1693	2.4323		3.4935
H4	2.3243	1.0612	3.4935

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

using model chemistry: MP3=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	-151.615248
Energy at 298.15K
HF Energy	-151.121878
Nuclear repulsion energy	52.591497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3384	3384	43.04
2	A'	2247	2247	661.97
3	A'	1301	1301	1.89
4	A'	608	608	14.92
5	A'	513	513	252.20
6	A"	535	535	6.78

Atom	x (Å)	y (Å)
C1	0.000	0.051
C2	0.963	-0.829
O3	-0.976	0.674
H4	2.032	-0.726

	C1	C2	O3	H4
C1		1.3039	1.1580	2.1751
C2	1.3039		2.4529	1.0742
O3	1.1580	2.4529		3.3175
H4	2.1751	1.0742	3.3175