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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	-151.527428
Energy at 298.15K
HF Energy	-151.086861
Nuclear repulsion energy	51.902678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3499	3357
2	Σ	2074	1990
3	Σ	1288	1236
4	Π	514	493
4	Π	477	458
5	Π	204	196
5	Π	550i	527i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.016
C2	0.000	0.000	-1.255
O3	0.000	0.000	1.219
H4	0.000	0.000	-2.320

	C1	C2	O3	H4
C1		1.2714	1.2029	2.3358
C2	1.2714		2.4743	1.0645
O3	1.2029	2.4743		3.5388
H4	2.3358	1.0645	3.5388

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

using model chemistry: CCSD(T)/6-31+G**

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	-151.531807
Energy at 298.15K
HF Energy	-151.084947
Nuclear repulsion energy	51.741776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3375	3238
2	A'	2059	1976
3	A'	1239	1189
4	A'	565	542
5	A'	525	504
6	A"	472	453

Atom	x (Å)	y (Å)
C1	0.000	0.070
C2	1.180	-0.509
O3	-1.157	0.342
H4	2.176	-0.104

	C1	C2	O3	H4
C1		1.3145	1.1886	2.1832
C2	1.3145		2.4872	1.0750
O3	1.1886	2.4872		3.3631
H4	2.1832	1.0750	3.3631