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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	-150.503878
Energy at 298.15K
HF Energy	-150.242494
Nuclear repulsion energy	52.052497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3524	3293	76.17
2	Σ	1965	1836	24.70
3	Σ	1336	1248	15.65
4	Π	636	594	24.39
4	Π	602	563	4.36
5	Π	507	474	12.57
5	Π	380	355	168.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.004
C2	0.000	0.000	-1.245
O3	0.000	0.000	1.219
H4	0.000	0.000	-2.305

	C1	C2	O3	H4
C1		1.2491	1.2142	2.3095
C2	1.2491		2.4633	1.0604
O3	1.2142	2.4633		3.5237
H4	2.3095	1.0604	3.5237

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

using model chemistry: CISD/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'	3524	3293	76.05
2	A'	1964	1835	24.17
3	A'	1335	1248	15.60
4	A'	602	563	4.35
5	A'	381	356	168.41
6	A"	598	559	0.71

	C1	C2	O3	H4
C1		1.2490	1.2144	2.3094
C2	1.2490		2.4635	1.0604
O3	1.2144	2.4635		3.5239
H4	2.3094	1.0604	3.5239