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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	-151.586233
Energy at 298.15K
HF Energy	-151.121528
Nuclear repulsion energy	52.402712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3498	3392
2	Σ	2354	2282
3	Σ	1359	1318
4	Π	604	585
4	Π	577	560
5	Π	415	403
5	Π	492i	477i

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	1.205
H4	0.000	0.000	-2.313

	C1	C2	O3	H4
C1		1.2758	1.1774	2.3401
C2	1.2758		2.4533	1.0643
O3	1.1774	2.4533		3.5176
H4	2.3401	1.0643	3.5176

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

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

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	-151.592384
Energy at 298.15K
HF Energy	-151.118377
Nuclear repulsion energy	51.908460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3282	3183
2	A'	2306	2236
3	A'	1208	1171
4	A'	676	656
5	A'	588	570
6	A"	513	498

Atom	x (Å)	y (Å)
C1	0.000	0.058
C2	1.046	-0.766
O3	-1.044	0.587
H4	2.081	-0.447

	C1	C2	O3	H4
C1		1.3312	1.1708	2.1411
C2	1.3312		2.4897	1.0832
O3	1.1708	2.4897		3.2917
H4	2.1411	1.0832	3.2917