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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	-151.539046
Energy at 298.15K
HF Energy	-151.103719
Nuclear repulsion energy	52.322100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3503	3503	164.34
2	Σ	2264	2264	902.98
3	Σ	1384	1384	34.15
4	Π	599	599	0.09
4	Π	557	557	6.24
5	Π	344	344	29.70
5	Π	506i	506i	131.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.028
C2	0.000	0.000	-1.250
O3	0.000	0.000	1.206
H4	0.000	0.000	-2.321

	C1	C2	O3	H4
C1		1.2782	1.1780	2.3497
C2	1.2782		2.4562	1.0715
O3	1.1780	2.4562		3.5277
H4	2.3497	1.0715	3.5277

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

using model chemistry: MP3=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	-151.544700
Energy at 298.15K
HF Energy	-151.104409
Nuclear repulsion energy	52.036434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3329	31.21
2	A'	2197	2197	739.46
3	A'	1252	1252	0.85
4	A'	653	653	180.91
5	A'	572	572	54.18
6	A"	510	510	3.04

Atom	x (Å)	y (Å)
C1	0.000	0.058
C2	1.014	-0.799
O3	-1.019	0.624
H4	2.073	-0.555

	C1	C2	O3	H4
C1		1.3275	1.1661	2.1623
C2	1.3275		2.4818	1.0872
O3	1.1661	2.4818		3.3102
H4	2.1623	1.0872	3.3102