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	hartrees
Energy at 0K	-153.158135
Energy at 298.15K	-153.160776
HF Energy	-153.158135
Nuclear repulsion energy	63.753712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3134	3.24
2	A'	3156	3019	2.14
3	A'	2959	2830	97.37
4	A'	1604	1534	52.18
5	A'	1474	1410	16.54
6	A'	1402	1341	11.23
7	A'	1159	1109	26.37
8	A'	977	935	2.29
9	A'	508	486	13.52
10	A"	981	938	0.60
11	A"	734	702	40.84
12	A"	427	408	0.42

Atom	x (Å)	y (Å)
C1	0.000	0.446
H2	0.118	1.521
C3	1.075	-0.405
O4	-1.195	-0.034
H5	2.084	-0.023
H6	0.909	-1.470

	C1	H2	C3	O4	H5	H6
C1		1.0815	1.3708	1.2877	2.1362	2.1209
H2	1.0815		2.1508	2.0349	2.5004	3.0943
C3	1.3708	2.1508		2.2999	1.0789	1.0783
O4	1.2877	2.0349	2.2999		3.2790	2.5474
H5	2.1362	2.5004	1.0789	3.2790		1.8641
H6	2.1209	3.0943	1.0783	2.5474	1.8641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.925	C1	C3	H6	119.513
H2	C1	C3	122.124	H2	C1	O4	118.122
C3	C1	O4	119.754	H5	C3	H6	119.562

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

using model chemistry: wB97X-D/6-311G**

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	0.124
2	H	0.083
3	C	-0.226
4	O	-0.286
5	H	0.144
6	H	0.159

	x	y	z	Total
	2.902	-0.009	0.000	2.902
CHELPG
AIM
ESP

	x	y	z
x	4.951	-0.352	0.000
y	-0.352	3.856	0.000
z	0.000	0.000	1.982

<r²>	41.846
(<r²>)^1/2	6.469

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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