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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	-151.494372
Energy at 298.15K
HF Energy	-151.081543
Nuclear repulsion energy	52.570080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3549	3330	148.69
2	Σ	2313	2170	649.72
3	Σ	1423	1335	43.05
4	Π	598	561	1.18
4	Π	564	529	13.84
5	Π	416	390	33.05
5	Π	434i	408i	162.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
C2	0.000	0.000	-1.241
O3	0.000	0.000	1.202
H4	0.000	0.000	-2.304

	C1	C2	O3	H4
C1		1.2623	1.1802	2.3259
C2	1.2623		2.4425	1.0636
O3	1.1802	2.4425		3.5062
H4	2.3259	1.0636	3.5062

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

using model chemistry: MP3=FULL/6-31G*

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	-151.497199
Energy at 298.15K
HF Energy	-151.080427
Nuclear repulsion energy	52.397334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3419	3208	50.32
2	A'	2304	2162	678.60
3	A'	1364	1280	12.12
4	A'	609	571	17.53
5	A'	512	481	268.23
6	A"	532	499	4.88

Atom	x (Å)	y (Å)
C1	0.000	0.049
C2	1.041	-0.728
O3	-1.043	0.578
H4	2.100	-0.555

	C1	C2	O3	H4
C1		1.2985	1.1695	2.1851
C2	1.2985		2.4590	1.0736
O3	1.1695	2.4590		3.3409
H4	2.1851	1.0736	3.3409