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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	-151.481981
Energy at 298.15K
HF Energy	-151.081445
Nuclear repulsion energy	52.530734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3547	3329	149.40
2	Σ	2310	2169	656.63
3	Σ	1423	1335	43.23
4	Π	591	555	0.83
4	Π	553	519	11.03
5	Π	392	368	36.03
5	Π	463i	434i	163.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.022
C2	0.000	0.000	-1.242
O3	0.000	0.000	1.203
H4	0.000	0.000	-2.306

	C1	C2	O3	H4
C1		1.2636	1.1810	2.3275
C2	1.2636		2.4445	1.0639
O3	1.1810	2.4445		3.5084
H4	2.3275	1.0639	3.5084

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

using model chemistry: MP3/6-31G*

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	-151.485131
Energy at 298.15K
HF Energy	-151.080213
Nuclear repulsion energy	52.346474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3412	3202	47.39
2	A'	2301	2159	669.99
3	A'	1360	1277	14.05
4	A'	608	571	17.62
5	A'	526	493	260.46
6	A"	524	492	4.57

Atom	x (Å)	y (Å)
C1	0.000	0.051
C2	1.051	-0.716
O3	-1.052	0.563
H4	2.107	-0.514

	C1	C2	O3	H4
C1		1.3015	1.1699	2.1813
C2	1.3015		2.4617	1.0744
O3	1.1699	2.4617		3.3374
H4	2.1813	1.0744	3.3374