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	hartrees
Energy at 0K	-152.327849
Energy at 298.15K	-152.330466
HF Energy	-152.327849
Nuclear repulsion energy	64.175492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3422	3123	5.02
2	A'	3302	3013	1.05
3	A'	3123	2850	103.31
4	A'	1946	1776	231.68
5	A'	1582	1443	17.53
6	A'	1526	1393	10.27
7	A'	1216	1110	59.61
8	A'	1019	930	5.15
9	A'	540	493	18.69
10	A"	1080	986	1.79
11	A"	640	584	49.21
12	A"	379	346	0.87

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.363	1.463
C3	1.027	-0.605
O4	-1.165	0.196
H5	2.070	-0.350
H6	0.727	-1.636

	C1	H2	C3	O4	H5	H6
C1		1.0953	1.4580	1.1886	2.2118	2.1897
H2	1.0953		2.1720	1.9853	2.4897	3.1200
C3	1.4580	2.1720		2.3345	1.0734	1.0735
O4	1.1886	1.9853	2.3345		3.2811	2.6341
H5	2.2118	2.4897	1.0734	3.2811		1.8591
H6	2.1897	3.1200	1.0735	2.6341	1.8591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.037	C1	C3	H6	118.982
H2	C1	C3	115.839	H2	C1	O4	120.693
C3	C1	O4	123.468	H5	C3	H6	119.981

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

using model chemistry: ROHF/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	0.264
2	H	0.069
3	C	-0.225
4	O	-0.385
5	H	0.129
6	H	0.147

	x	y	z	Total
	3.146	0.031	0.000	3.147
CHELPG
AIM
ESP

<r²>	41.984
(<r²>)^1/2	6.480

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

using model chemistry: ROHF/6-311G**

States and conformations

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