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	hartrees
Energy at 0K	-28.380922
Energy at 298.15K	-28.383672
HF Energy	-28.380922
Nuclear repulsion energy	34.793110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3427	3096	9.97
2	A'	3310	2990	7.32
3	A'	3233	2921	70.36
4	A'	1590	1437	11.32
5	A'	1532	1384	7.01
6	A'	1384	1250	14.67
7	A'	1190	1075	16.70
8	A'	1039	938	3.62
9	A'	529	478	14.57
10	A"	999	902	0.92
11	A"	761	688	55.78
12	A"	517	467	0.33

Atom	x (Å)	y (Å)
C1	0.000	0.436
H2	0.251	1.496
C3	1.063	-0.515
O4	-1.195	0.093
H5	2.092	-0.197
H6	0.835	-1.567

	C1	H2	C3	O4	H5	H6
C1		1.0892	1.4266	1.2431	2.1857	2.1703
H2	1.0892		2.1687	2.0151	2.5009	3.1181
C3	1.4266	2.1687		2.3383	1.0766	1.0765
O4	1.2431	2.0151	2.3383		3.2993	2.6218
H5	2.1857	2.5009	1.0766	3.2993		1.8591
H6	2.1703	3.1181	1.0765	2.6218	1.8591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.014	C1	C3	H6	119.574
H2	C1	C3	118.472	H2	C1	O4	119.388
C3	C1	O4	122.140	H5	C3	H6	119.412

All results from a given calculation for CH₂CHO (Vinyloxy radical)

using model chemistry: HF/CEP-121G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.119
2	H	0.137
3	C	-0.359
4	O	-0.290
5	H	0.192
6	H	0.202

	x	y	z	Total
	2.789	0.224	0.000	2.798
CHELPG
AIM
ESP

	x	y	z
x	5.070	-0.187	0.000
y	-0.187	3.537	0.000
z	0.000	0.000	2.115

<r²>	36.066
(<r²>)^1/2	6.006

All results from a given calculation for CH2CHO (Vinyloxy radical)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₂CHO (Vinyloxy radical)