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	hartrees
Energy at 0K	-153.140192
Energy at 298.15K	-153.142776
HF Energy	-153.140192
Nuclear repulsion energy	62.820994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3171	5.20
2	A'	3075	3059	3.48
3	A'	2869	2854	101.29
4	A'	1495	1487	52.57
5	A'	1439	1431	8.54
6	A'	1353	1346	13.50
7	A'	1135	1129	18.60
8	A'	952	947	3.43
9	A'	492	490	10.46
10	A"	937	932	0.65
11	A"	731	727	39.10
12	A"	414	412	0.08

Atom	x (Å)	y (Å)
C1	0.000	0.432
H2	0.278	1.512
C3	1.074	-0.518
O4	-1.211	0.097
H5	2.117	-0.192
H6	0.847	-1.587

	C1	H2	C3	O4	H5	H6
C1		1.1152	1.4340	1.2562	2.2074	2.1901
H2	1.1152		2.1809	2.0537	2.5076	3.1515
C3	1.4340	2.1809		2.3660	1.0934	1.0930
O4	1.2562	2.0537	2.3660		3.3406	2.6595
H5	2.2074	2.5076	1.0934	3.3406		1.8871
H6	2.1901	3.1515	1.0930	2.6595	1.8871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.125	C1	C3	H6	119.542
H2	C1	C3	117.089	H2	C1	O4	119.885
C3	C1	O4	123.026	H5	C3	H6	119.333

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

using model chemistry: BLYP/6-31+G**

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	0.063
2	H	0.111
3	C	-0.124
4	O	-0.360
5	H	0.145
6	H	0.165

	x	y	z	Total
	3.076	0.023	0.000	3.076
CHELPG
AIM
ESP

	x	y	z
x	5.958	-0.439	0.000
y	-0.439	4.454	0.000
z	0.000	0.000	2.690

<r²>	43.145
(<r²>)^1/2	6.568

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

using model chemistry: BLYP/6-31+G**

States and conformations

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