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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	-151.661243
Energy at 298.15K
HF Energy	-151.141970
Nuclear repulsion energy	52.553079

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
C2	0.000	0.000	-1.240
O3	0.000	0.000	1.203
H4	0.000	0.000	-2.301

	C1	C2	O3	H4
C1		1.2603	1.1830	2.3207
C2	1.2603		2.4433	1.0605
O3	1.1830	2.4433		3.5038
H4	2.3207	1.0605	3.5038

	hartrees
Energy at 0K	-151.663808
Energy at 298.15K
HF Energy	-151.141763
Nuclear repulsion energy	52.418699

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

using model chemistry: CCSD/aug-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)	IR Intensities (km mol^-1)
1	A'	3357	3209	41.82
2	A'	2078	1986	383.14
3	A'	1256	1201	4.17
4	A'	576	550	15.95
5	A'	478	457	259.07
6	A"	504	482	2.53

Atom	x (Å)	y (Å)
C1	0.000	0.054
C2	1.071	-0.680
O3	-1.069	0.528
H4	2.121	-0.468

	C1	C2	O3	H4
C1		1.2984	1.1692	2.1847
C2	1.2984		2.4573	1.0711
O3	1.1692	2.4573		3.3420
H4	2.1847	1.0711	3.3420