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	hartrees
Energy at 0K	-153.123123
Energy at 298.15K	-153.125703
HF Energy	-153.123123
Nuclear repulsion energy	62.873004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3168	7.94
2	A'	3086	3061	4.15
3	A'	2839	2816	116.38
4	A'	1521	1509	34.14
5	A'	1456	1444	6.84
6	A'	1374	1363	9.95
7	A'	1137	1128	16.17
8	A'	955	947	3.54
9	A'	491	487	11.07
10	A"	942	935	1.38
11	A"	720	714	31.82
12	A"	423	420	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.447
H2	0.125	1.531
C3	1.095	-0.409
O4	-1.218	-0.032
H5	2.111	-0.022
H6	0.938	-1.484

	C1	H2	C3	O4	H5	H6
C1		1.0909	1.3905	1.3089	2.1630	2.1473
H2	1.0909		2.1693	2.0608	2.5213	3.1228
C3	1.3905	2.1693		2.3438	1.0876	1.0862
O4	1.3089	2.0608	2.3438		3.3295	2.5996
H5	2.1630	2.5213	1.0876	3.3295		1.8748
H6	2.1473	3.1228	1.0862	2.5996	1.8748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.102	C1	C3	H6	119.719
H2	C1	C3	121.442	H2	C1	O4	118.069
C3	C1	O4	120.489	H5	C3	H6	119.179

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

using model chemistry: BLYP/6-31G*

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	0.220
2	H	0.089
3	C	-0.253
4	O	-0.366
5	H	0.147
6	H	0.162

	x	y	z	Total
	2.687	-0.083	0.000	2.688
CHELPG
AIM
ESP

	x	y	z
x	4.984	-0.368	0.000
y	-0.368	3.838	0.000
z	0.000	0.000	1.591

<r²>	42.616
(<r²>)^1/2	6.528

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

using model chemistry: BLYP/6-31G*

States and conformations

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