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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	²Π
1	2	no	CS	²A^"

	hartrees
Energy at 0K	-149.250912
Energy at 298.15K
HF Energy	-149.114591
Nuclear repulsion energy	50.797202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3810	3387	137.34	7.80	0.27	0.43
2	Σ	2603	2314	11.77	123.35	0.30	0.46
3	Σ	988	878	9.27	0.02	0.71	0.83
4	Π	1002	891	5.20	0.02	0.75	0.86
4	Π	818	727	42.00	0.10	0.75	0.86
5	Π	572	508	5.20	1.55	0.75	0.86
5	Π	498	442	0.01	3.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.059
C2	0.000	0.000	-1.246
O3	0.000	0.000	1.269
H4	0.000	0.000	-2.323

	C1	C2	O3	H4
C1		1.1869	1.3285	2.2639
C2	1.1869		2.5154	1.0770
O3	1.3285	2.5154		3.5924
H4	2.2639	1.0770	3.5924

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

using model chemistry: MP2=FULL/STO-3G

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)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3811	3387	137.30	7.79	0.27	0.42
2	A'	2605	2315	11.83	123.31	0.30	0.47
3	A'	987	878	9.27	0.03	0.72	0.83
4	A'	818	727	41.97	2.97	0.35	0.51
5	A'	572	508	5.17	2.23	0.60	0.75
6	A"	858	763	3.11	2.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.059
C2	0.005	1.246
O3	-0.005	-1.269
H4	0.010	2.323

	C1	C2	O3	H4
C1		1.1869	1.3288	2.2638
C2	1.1869		2.5156	1.0770
O3	1.3288	2.5156		3.5926
H4	2.2638	1.0770	3.5926