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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	-151.013901
Energy at 298.15K
HF Energy	-151.013901
Nuclear repulsion energy	52.138873

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	3654	3299	76.61	37.75	0.20	0.33
2	Σ	1944	1755	1.24	37.23	0.32	0.49
3	Σ	1195	1079	1.77	8.00	0.21	0.34
4	Π	553	499	54.11	0.03	0.75	0.86
4	Π	498	450	36.33	0.63	0.75	0.86
5	Π	450	406	3.18	1.19	0.75	0.86
5	Π	448	404	109.02	8.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.003
C2	0.000	0.000	-1.240
O3	0.000	0.000	1.219
H4	0.000	0.000	-2.292

	C1	C2	O3	H4
C1		1.2370	1.2214	2.2896
C2	1.2370		2.4583	1.0526
O3	1.2214	2.4583		3.5109
H4	2.2896	1.0526	3.5109

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

using model chemistry: HF/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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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	3653	3299	76.52	37.72	0.19	0.33
2	Σ	1944	1755	1.30	37.56	0.32	0.49
3	Σ	1194	1078	1.73	7.88	0.21	0.34
4	Π	553	499	55.00	0.04	0.75	0.86
4	Π	500	451	36.33	0.63	0.75	0.86
5	Π	450	406	3.16	1.19	0.75	0.86
5	Π	448	405	107.96	8.26	0.75	0.86

	C1	C2	O3	H4
C1		1.2369	1.2216	2.2895
C2	1.2369		2.4585	1.0527
O3	1.2216	2.4585		3.5112
H4	2.2895	1.0527	3.5112

Number	Element	Mulliken
1	C	0.145
2	C	-0.091
3	O	-0.390
4	H	0.337

	x	y	z	Total
	0.000	0.000	-2.442	2.442
CHELPG
AIM
ESP

<r²>	36.678
(<r²>)^1/2	6.056

Number	Element	Mulliken
1	C	0.145
2	C	-0.091
3	O	-0.391
4	H	0.337