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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	-149.115417
Energy at 298.15K
HF Energy	-149.115417
Nuclear repulsion energy	50.820047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3895	3180	140.76	29.21	0.31	0.47
2	Σ	2048	1672	17.57	13.30	0.24	0.39
3	Σ	1090	890	0.71	0.57	0.20	0.33
4	Π	672	549	27.72	0.02	0.75	0.86
4	Π	648	529	7.10	0.22	0.75	0.86
5	Π	445	364	10.06	3.12	0.75	0.86
5	Π	390	319	0.33	2.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.048
C2	0.000	0.000	-1.252
O3	0.000	0.000	1.265
H4	0.000	0.000	-2.317

	C1	C2	O3	H4
C1		1.2047	1.3126	2.2689
C2	1.2047		2.5173	1.0643
O3	1.3126	2.5173		3.5815
H4	2.2689	1.0643	3.5815

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

using model chemistry: HF/STO-3G

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)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	672	549	27.69	0.02	0.75	0.86
2	?_a	648	529	7.10	0.22	0.75	0.86
3	?_a	445	364	10.06	3.12	0.75	0.86
4	?_a	391	319	0.33	2.57	0.75	0.86
5	Σ	3895	3180	140.73	29.23	0.31	0.47
6	Σ	2046	1671	17.59	13.26	0.24	0.39
7	Σ	1089	889	0.71	0.57	0.20	0.33

	C1	C2	O3	H4
C1		1.2048	1.3128	2.2691
C2	1.2048		2.5176	1.0643
O3	1.3128	2.5176		3.5819
H4	2.2691	1.0643	3.5819

Number	Element	Mulliken
1	C	0.061
2	C	-0.107
3	O	-0.074
4	H	0.119

	x	y	z	Total
	0.000	0.000	-1.192	1.192
CHELPG
AIM
ESP

<r²>	36.639
(<r²>)^1/2	6.053

Number	Element	Mulliken
1	C	0.061
2	C	-0.107
3	O	-0.074
4	H	0.119