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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	²Π
1	2	no	CS	²A^"

	hartrees
Energy at 0K	-150.515098
Energy at 298.15K
HF Energy	-150.242249
Nuclear repulsion energy	52.258247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3517	3517	76.08
2	Σ	1948	1948	43.23
3	Σ	1422	1422	21.79
4	Π	648	648	26.29
4	Π	622	622	5.43
5	Π	530	530	10.75
5	Π	300	300	186.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.009
C2	0.000	0.000	-1.242
O3	0.000	0.000	1.212
H4	0.000	0.000	-2.303

	C1	C2	O3	H4
C1		1.2510	1.2032	2.3123
C2	1.2510		2.4542	1.0613
O3	1.2032	2.4542		3.5155
H4	2.3123	1.0613	3.5155

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

using model chemistry: MP3=FULL/3-21G*

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3515	75.83
2	A'	1946	1946	41.57
3	A'	1421	1421	21.76
4	A'	623	623	5.31
5	A'	306	306	186.32
6	A"	554	554	14.83

	C1	C2	O3	H4
C1		1.2508	1.2035	2.3123
C2	1.2508		2.4543	1.0615
O3	1.2035	2.4543		3.5158
H4	2.3123	1.0615	3.5158