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	hartrees
Energy at 0K	-152.313517
Energy at 298.15K	-152.316299
HF Energy	-152.313517
Nuclear repulsion energy	63.801913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3110	3.21
2	A'	3307	3003	3.83
3	A'	3211	2915	64.31
4	A'	1577	1432	15.49
5	A'	1528	1387	6.84
6	A'	1404	1275	8.57
7	A'	1211	1100	14.13
8	A'	1048	952	3.22
9	A'	535	486	14.87
10	A"	1013	920	0.27
11	A"	777	706	39.16
12	A"	526	478	0.54

Atom	x (Å)	y (Å)
C1	0.000	0.432
H2	0.259	1.496
C3	1.055	-0.512
O4	-1.187	0.094
H5	2.090	-0.197
H6	0.820	-1.568

	C1	H2	C3	O4	H5	H6
C1		1.0951	1.4159	1.2347	2.1823	2.1619
H2	1.0951		2.1605	2.0146	2.4938	3.1155
C3	1.4159	2.1605		2.3229	1.0817	1.0819
O4	1.2347	2.0146	2.3229		3.2900	2.6061
H5	2.1823	2.4938	1.0817	3.2900		1.8690
H6	2.1619	3.1155	1.0819	2.6061	1.8690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.220	C1	C3	H6	119.284
H2	C1	C3	118.164	H2	C1	O4	119.572
C3	C1	O4	122.264	H5	C3	H6	119.496

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

using model chemistry: HF/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	0.153
2	H	0.016
3	C	-0.053
4	O	-0.256
5	H	0.066
6	H	0.074

	x	y	z	Total
	2.595	0.184	0.000	2.602
CHELPG
AIM
ESP

	x	y	z
x	4.752	-0.207	0.000
y	-0.207	3.467	0.000
z	0.000	0.000	1.765

<r²>	41.756
(<r²>)^1/2	6.462

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

using model chemistry: HF/cc-pVDZ

States and conformations

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