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	hartrees
Energy at 0K	-153.077783
Energy at 298.15K	-153.080366
HF Energy	-153.077783
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3162	8.52
2	A'	3112	3051	4.70
3	A'	2860	2804	126.89
4	A'	1556	1526	42.60
5	A'	1465	1436	7.56
6	A'	1386	1359	8.50
7	A'	1150	1128	18.30
8	A'	963	944	3.11
9	A'	495	485	11.36
10	A"	945	927	1.46
11	A"	717	702	35.39
12	A"	418	410	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.304	1.504
C3	1.064	-0.529
O4	-1.203	0.112
H5	2.110	-0.216
H6	0.827	-1.593

	C1	H2	C3	O4	H5	H6
C1		1.1164	1.4322	1.2446	2.2062	2.1852
H2	1.1164		2.1702	2.0515	2.4939	3.1407
C3	1.4322	2.1702		2.3565	1.0909	1.0902
O4	1.2446	2.0515	2.3565		3.3291	2.6515
H5	2.2062	2.4939	1.0909	3.3291		1.8813
H6	2.1852	3.1407	1.0902	2.6515	1.8813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.073	C1	C3	H6	119.702
H2	C1	C3	121.499	H2	C1	O4	118.104
C3	C1	O4	120.397	H5	C3	H6	119.225

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

using model chemistry: B97D3/6-31G*

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	0.216
2	H	0.110
3	C	-0.308
4	O	-0.377
5	H	0.171
6	H	0.188

	x	y	z	Total
	2.744	-0.088	0.000	2.745
CHELPG
AIM
ESP

	x	y	z
x	4.933	-0.360	0.000
y	-0.360	3.808	0.000
z	0.000	0.000	1.602

<r²>	42.331
(<r²>)^1/2	6.506

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

using model chemistry: B97D3/6-31G*

States and conformations

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