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	hartrees
Energy at 0K
Energy at 298.15K	0.046940
HF Energy	0.046940
Nuclear repulsion energy	41.815283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2836	3013	385.14
2	Σ	2174	2310	330.12
3	Σ	1386	1473	30.71
4	Π	681	723	58.61
4	Π	581	617	69.05
5	Π	459	488	5.63
5	Π	374	398	148.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.023
C2	0.000	0.000	-1.246
O3	0.000	0.000	1.202
H4	0.000	0.000	-2.273

	C1	C2	O3	H4
C1		1.2695	1.1787	2.2962
C2	1.2695		2.4482	1.0268
O3	1.1787	2.4482		3.4750
H4	2.2962	1.0268	3.4750

	hartrees
Energy at 0K
Energy at 298.15K	0.046940
HF Energy	0.046940
Nuclear repulsion energy	41.816045

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

using model chemistry: PM6

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'	2836	3013	385.50
2	A'	2175	2311	330.80
3	A'	1386	1473	30.55
4	A'	582	618	69.80
5	A'	374	398	148.08
6	A"	644	684	62.24

	C1	C2	O3	H4
C1		1.2695	1.1785	2.2965
C2	1.2695		2.4480	1.0270
O3	1.1785	2.4480		3.4751
H4	2.2965	1.0270	3.4751