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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	-150.243208
Energy at 298.15K
HF Energy	-150.243208
Nuclear repulsion energy	52.338150

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	3646	3291	75.97	33.35	0.20	0.33
2	Σ	1953	1763	0.33	27.34	0.32	0.49
3	Σ	1213	1095	1.49	6.42	0.25	0.40
4	Π	708	639	35.33	1.59	0.75	0.86
4	Π	663	598	162.45	6.48	0.75	0.86
5	Π	606	547	12.38	0.86	0.75	0.86
5	Π	537	485	3.74	0.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.005
C2	0.000	0.000	-1.234
O3	0.000	0.000	1.215
H4	0.000	0.000	-2.283

	C1	C2	O3	H4
C1		1.2283	1.2197	2.2782
C2	1.2283		2.4480	1.0499
O3	1.2197	2.4480		3.4979
H4	2.2782	1.0499	3.4979

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

using model chemistry: HF/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)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3642	3287	75.97	31.04	0.28	0.44
2	A'	1952	1762	0.35	30.74	0.21	0.34
3	A'	1212	1094	1.46	30.57	0.62	0.76
4	A'	665	600	164.44	32788.31	0.33	0.50
5	A'	607	548	10.23	4494.30	0.33	0.50
6	A"	565	510	9.00	4548.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.005
C2	-0.109	1.229
O3	0.107	-1.210
H4	-0.200	2.275

	C1	C2	O3	H4
C1		1.2284	1.2200	2.2786
C2	1.2284		2.4484	1.0502
O3	1.2200	2.4484		3.4987
H4	2.2786	1.0502	3.4987

Number	Element	Mulliken
1	C	0.233
2	C	-0.106
3	O	-0.480
4	H	0.354

	x	y	z	Total
	0.000	0.000	-2.058	2.058
CHELPG
AIM
ESP

<r²>	36.428
(<r²>)^1/2	6.036

Number	Element	Mulliken
1	C	0.233
2	C	-0.106
3	O	-0.480
4	H	0.354