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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	-151.722911
Energy at 298.15K
HF Energy	-151.140313
Nuclear repulsion energy	52.632446

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.025
C2	0.000	0.000	-1.242
O3	0.000	0.000	1.200
H4	0.000	0.000	-2.298

	C1	C2	O3	H4
C1		1.2675	1.1751	2.3227
C2	1.2675		2.4425	1.0553
O3	1.1751	2.4425		3.4978
H4	2.3227	1.0553	3.4978

	hartrees
Energy at 0K	-151.727885
Energy at 298.15K
HF Energy	-151.138981
Nuclear repulsion energy	52.259865

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

using model chemistry: MP4=FULL/cc-pVTZ

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)
1	A'	3334	3210
2	A'	2290	2206
3	A'	1232	1186
4	A'	637	614
5	A'	575	554
6	A"	522	502

Atom	x (Å)	y (Å)
C1	0.000	0.053
C2	1.055	-0.727
O3	-1.052	0.561
H4	2.088	-0.449

	C1	C2	O3	H4
C1		1.3125	1.1687	2.1476
C2	1.3125		2.4705	1.0696
O3	1.1687	2.4705		3.2990
H4	2.1476	1.0696	3.2990