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	hartrees
Energy at 0K	-152.789030
Energy at 298.15K	-152.791659
HF Energy	-152.334321
Nuclear repulsion energy	63.358259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3135	4.86
2	A'	3157	3023	2.51
3	A'	2988	2861	92.09
4	A'	1586	1519	32.33
5	A'	1489	1426	15.19
6	A'	1417	1357	7.92
7	A'	1159	1109	28.28
8	A'	979	938	2.43
9	A'	508	486	12.91
10	A"	969	928	0.10
11	A"	702	672	49.27
12	A"	438	420	0.12

Atom	x (Å)	y (Å)
C1	0.000	0.433
H2	0.302	1.498
C3	1.057	-0.544
O4	-1.193	0.127
H5	2.103	-0.249
H6	0.798	-1.599

	C1	H2	C3	O4	H5	H6
C1		1.1070	1.4397	1.2318	2.2105	2.1833
H2	1.1070		2.1776	2.0281	2.5090	3.1368
C3	1.4397	2.1776		2.3489	1.0865	1.0864
O4	1.2318	2.0281	2.3489		3.3177	2.6360
H5	2.2105	2.5090	1.0865	3.3177		1.8779
H6	2.1833	3.1368	1.0864	2.6360	1.8779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.467	C1	C3	H6	118.942
H2	C1	C3	116.930	H2	C1	O4	120.164
C3	C1	O4	122.906	H5	C3	H6	119.591

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

using model chemistry: QCISD/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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All results from a given calculation for CH2CHO (Vinyloxy radical)

using model chemistry: QCISD/6-311G*

States and conformations

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