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	hartrees
Energy at 0K	-153.153984
Energy at 298.15K	-153.156695
HF Energy	-153.153984
Nuclear repulsion energy	62.480029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3169	9.53
2	A'	3167	3044	4.42
3	A'	3047	2929	79.10
4	A'	1486	1428	13.80
5	A'	1457	1400	1.93
6	A'	1334	1283	16.85
7	A'	1177	1132	14.69
8	A'	997	958	1.72
9	A'	497	478	11.09
10	A"	989	951	0.43
11	A"	844	811	77.72
12	A"	492	473	0.04

Atom	x (Å)	y (Å)
C1	0.000	0.434
H2	0.241	1.510
C3	1.092	-0.482
O4	-1.227	0.057
H5	2.121	-0.127
H6	0.900	-1.552

	C1	H2	C3	O4	H5	H6
C1		1.1028	1.4249	1.2834	2.1935	2.1806
H2	1.1028		2.1654	2.0654	2.4921	3.1323
C3	1.4249	2.1654		2.3807	1.0879	1.0879
O4	1.2834	2.0654	2.3807		3.3525	2.6674
H5	2.1935	2.4921	1.0879	3.3525		1.8765
H6	2.1806	3.1323	1.0879	2.6674	1.8765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.016	C1	C3	H6	119.807
H2	C1	C3	117.324	H2	C1	O4	119.706
C3	C1	O4	122.970	H5	C3	H6	119.177

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

using model chemistry: B3LYP/SDD

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	-0.016
2	H	0.175
3	C	-0.395
4	O	-0.219
5	H	0.221
6	H	0.234

	x	y	z	Total
	3.357	0.207	0.000	3.363
CHELPG
AIM
ESP

	x	y	z
x	5.043	-0.435	0.000
y	-0.435	3.340	0.000
z	0.000	0.000	1.591

<r²>	43.065
(<r²>)^1/2	6.562

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

using model chemistry: B3LYP/SDD

States and conformations

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