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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	-151.679247
Energy at 298.15K
HF Energy	-151.139704
Nuclear repulsion energy	52.468086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3485	3377
2	Σ	2344	2272
3	Σ	1346	1305
4	Π	589	571
4	Π	563	545
5	Π	399	386
5	Π	499i	483i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
C2	0.000	0.000	-1.246
O3	0.000	0.000	1.204
H4	0.000	0.000	-2.307

	C1	C2	O3	H4
C1		1.2723	1.1777	2.3331
C2	1.2723		2.4500	1.0608
O3	1.1777	2.4500		3.5107
H4	2.3331	1.0608	3.5107

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

using model chemistry: MP4/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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	hartrees
Energy at 0K	-151.685283
Energy at 298.15K
HF Energy	-151.137782
Nuclear repulsion energy	52.031108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3291	3190
2	A'	2271	2201
3	A'	1205	1168
4	A'	673	652
5	A'	572	555
6	A"	507	492

Atom	x (Å)	y (Å)
C1	0.000	0.057
C2	1.069	-0.722
O3	-1.064	0.547
H4	2.094	-0.390

	C1	C2	O3	H4
C1		1.3230	1.1714	2.1414
C2	1.3230		2.4823	1.0773
O3	1.1714	2.4823		3.2943
H4	2.1414	1.0773	3.2943