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	hartrees
Energy at 0K	-152.338219
Energy at 298.15K	-152.340767
HF Energy	-152.338219
Nuclear repulsion energy	63.512982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3156	1.55
2	A'	3099	3041	1.08
3	A'	2864	2810	98.18
4	A'	1599	1569	44.52
5	A'	1439	1412	13.47
6	A'	1360	1334	8.23
7	A'	1171	1149	9.39
8	A'	957	939	3.80
9	A'	486	477	11.82
10	A"	943	925	2.85
11	A"	709	696	40.55
12	A"	393	385	0.31

Atom	x (Å)	y (Å)
C1	0.000	0.428
H2	0.291	1.511
C3	1.056	-0.512
O4	-1.193	0.096
H5	2.106	-0.198
H6	0.811	-1.580

	C1	H2	C3	O4	H5	H6
C1		1.1210	1.4142	1.2384	2.1968	2.1660
H2	1.1210		2.1626	2.0504	2.4921	3.1341
C3	1.4142	2.1626		2.3302	1.0956	1.0955
O4	1.2384	2.0504	2.3302		3.3119	2.6131
H5	2.1968	2.4921	1.0956	3.3119		1.8937
H6	2.1660	3.1341	1.0955	2.6131	1.8937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.638	C1	C3	H6	118.766
H2	C1	C3	116.615	H2	C1	O4	120.610
C3	C1	O4	122.775	H5	C3	H6	119.596

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

using model chemistry: LSDA/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	0.159
2	H	0.128
3	C	-0.336
4	O	-0.346
5	H	0.189
6	H	0.205

	x	y	z	Total
	2.752	-0.095	0.000	2.754
CHELPG
AIM
ESP

	x	y	z
x	4.928	-0.347	0.000
y	-0.347	3.856	0.000
z	0.000	0.000	1.606

<r²>	41.836
(<r²>)^1/2	6.468

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

using model chemistry: LSDA/6-31G*

States and conformations

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