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	hartrees
Energy at 0K	-152.359176
Energy at 298.15K	-152.361725
HF Energy	-152.359176
Nuclear repulsion energy	63.436757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3168	0.66
2	A'	3075	3040	1.12
3	A'	2864	2832	83.45
4	A'	1566	1549	61.54
5	A'	1403	1387	14.81
6	A'	1320	1305	11.72
7	A'	1162	1149	7.72
8	A'	945	935	4.38
9	A'	483	477	11.97
10	A"	943	933	2.35
11	A"	718	710	33.72
12	A"	377	373	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.429
H2	0.280	1.518
C3	1.057	-0.511
O4	-1.193	0.093
H5	2.109	-0.187
H6	0.813	-1.584

	C1	H2	C3	O4	H5	H6
C1		1.1240	1.4150	1.2396	2.1971	2.1715
H2	1.1240		2.1726	2.0492	2.5002	3.1475
C3	1.4150	2.1726		2.3305	1.1002	1.1006
O4	1.2396	2.0492	2.3305		3.3140	2.6154
H5	2.1971	2.5002	1.1002	3.3140		1.9055
H6	2.1715	3.1475	1.1006	2.6154	1.9055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.232	C1	C3	H6	118.823
H2	C1	C3	117.213	H2	C1	O4	120.147
C3	C1	O4	122.640	H5	C3	H6	119.945

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

using model chemistry: LSDA/aug-cc-pVDZ

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	0.759
2	H	-0.222
3	C	0.523
4	O	-0.372
5	H	-0.352
6	H	-0.337

	x	y	z	Total
	2.985	-0.027	0.000	2.985
CHELPG
AIM
ESP

	x	y	z
x	6.128	-0.351	-0.000
y	-0.351	4.896	0.000
z	-0.000	0.000	3.253

<r²>	42.327
(<r²>)^1/2	6.506

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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