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	hartrees
Energy at 0K	-152.311054
Energy at 298.15K	-152.313842
HF Energy	-152.311054
Nuclear repulsion energy	63.856154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3429	3101	3.99
2	A'	3318	3000	4.53
3	A'	3228	2919	54.69
4	A'	1602	1448	12.41
5	A'	1546	1398	8.82
6	A'	1412	1277	13.04
7	A'	1217	1101	18.08
8	A'	1057	956	3.00
9	A'	540	489	15.03
10	A"	1018	921	0.46
11	A"	802	725	58.77
12	A"	521	471	0.58

Atom	x (Å)	y (Å)
C1	0.000	0.433
H2	0.245	1.492
C3	1.057	-0.508
O4	-1.188	0.089
H5	2.083	-0.188
H6	0.833	-1.559

	C1	H2	C3	O4	H5	H6
C1		1.0869	1.4153	1.2368	2.1736	2.1589
H2	1.0869		2.1584	2.0054	2.4900	3.1068
C3	1.4153	2.1584		2.3233	1.0744	1.0745
O4	1.2368	2.0054	2.3233		3.2828	2.6077
H5	2.1736	2.4900	1.0744	3.2828		1.8551
H6	2.1589	3.1068	1.0745	2.6077	1.8551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.018	C1	C3	H6	119.617
H2	C1	C3	118.636	H2	C1	O4	119.173
C3	C1	O4	122.191	H5	C3	H6	119.365

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

using model chemistry: HF/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	0.135
2	H	0.131
3	C	-0.206
4	O	-0.391
5	H	0.156
6	H	0.175

	x	y	z	Total
	2.885	0.245	0.000	2.895
CHELPG
AIM
ESP

	x	y	z
x	5.288	-0.185	0.000
y	-0.185	3.625	0.000
z	0.000	0.000	2.396

<r²>	41.894
(<r²>)^1/2	6.473

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

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

States and conformations

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