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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	-151.541959
Energy at 298.15K
HF Energy	-151.086912
Nuclear repulsion energy	51.913408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3502	3502
2	Σ	2079	2079
3	Σ	1277	1277
4	Π	527	527
4	Π	497	497
5	Π	297	297
5	Π	500i	500i

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	-2.318

	C1	C2	O3	H4
C1		1.2704	1.2033	2.3339
C2	1.2704		2.4737	1.0635
O3	1.2033	2.4737		3.5373
H4	2.3339	1.0635	3.5373

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

using model chemistry: QCISD(T)=FULL/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	-151.545976
Energy at 298.15K
HF Energy	-151.084947
Nuclear repulsion energy	51.734171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3380	3380
2	A'	2039	2039
3	A'	1219	1219
4	A'	558	558
5	A'	505	505
6	A"	493	493

Atom	x (Å)	y (Å)
C1	0.000	0.070
C2	1.185	-0.495
O3	-1.161	0.331
H4	2.181	-0.094

	C1	C2	O3	H4
C1		1.3124	1.1903	2.1870
C2	1.3124		2.4871	1.0737
O3	1.1903	2.4871		3.3690
H4	2.1870	1.0737	3.3690