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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	-151.604216
Energy at 298.15K
HF Energy	-151.119968
Nuclear repulsion energy	52.812136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3513	3513	146.47
2	Σ	2273	2273	674.13
3	Σ	1393	1393	34.03
4	Π	617	617	0.54
4	Π	579	579	12.26
5	Π	420	420	32.72
5	Π	441i	441i	164.96

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	-2.299

	C1	C2	O3	H4
C1		1.2632	1.1692	2.3257
C2	1.2632		2.4324	1.0625
O3	1.1692	2.4324		3.4949
H4	2.3257	1.0625	3.4949

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	-151.607477
Energy at 298.15K
HF Energy	-151.119695
Nuclear repulsion energy	52.588866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3369	3369	42.79
2	A'	2248	2248	662.46
3	A'	1304	1304	2.04
4	A'	611	611	22.97
5	A'	547	547	253.00
6	A"	537	537	6.26

Atom	x (Å)	y (Å)
C1	0.000	0.050
C2	0.959	-0.832
O3	-0.973	0.679
H4	2.030	-0.740

	C1	C2	O3	H4
C1		1.3032	1.1584	2.1779
C2	1.3032		2.4527	1.0748
O3	1.1584	2.4527		3.3208
H4	2.1779	1.0748	3.3208