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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	-151.599923
Energy at 298.15K
HF Energy	-151.147865
Nuclear repulsion energy	53.115402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3566	3566	160.69
2	Σ	2272	2272	695.29
3	Σ	1393	1393	27.95
4	Π	616	616	0.03
4	Π	573	573	12.03
5	Π	439	439	29.61
5	Π	337i	337i	148.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
C2	0.000	0.000	-1.230
O3	0.000	0.000	1.189
H4	0.000	0.000	-2.285

	C1	C2	O3	H4
C1		1.2558	1.1630	2.3104
C2	1.2558		2.4188	1.0547
O3	1.1630	2.4188		3.4734
H4	2.3104	1.0547	3.4734

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

using model chemistry: CID/Def2TZVPP

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	-151.602035
Energy at 298.15K
HF Energy	-151.147789
Nuclear repulsion energy	52.939201

Atom	x (Å)	y (Å)
C1	0.000	0.046
C2	0.914	-0.867
O3	-0.933	0.722
H4	1.979	-0.852

	C1	C2	O3	H4
C1		1.2924	1.1518	2.1729
C2	1.2924		2.4366	1.0649
O3	1.1518	2.4366		3.3095
H4	2.1729	1.0649	3.3095