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	hartrees
Energy at 0K	-152.816730
Energy at 298.15K	-152.819300
HF Energy	-152.313672
Nuclear repulsion energy	64.090306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3380	3177	0.60
2	A'	3245	3050	1.23
3	A'	2966	2788	111.97
4	A'	2017	1896	467.31
5	A'	1488	1399	13.15
6	A'	1453	1365	8.75
7	A'	1149	1080	56.92
8	A'	954	896	8.79
9	A'	501	471	14.30
10	A"	1091	1026	6.38
11	A"	684	643	36.00
12	A"	369	346	0.66

Atom	x (Å)	y (Å)
C1	0.000	0.424
H2	0.404	1.457
C3	1.025	-0.610
O4	-1.168	0.207
H5	2.073	-0.356
H6	0.717	-1.644

	C1	H2	C3	O4	H5	H6
C1		1.1088	1.4559	1.1880	2.2149	2.1884
H2	1.1088		2.1578	2.0079	2.4639	3.1159
C3	1.4559	2.1578		2.3405	1.0785	1.0785
O4	1.1880	2.0079	2.3405		3.2898	2.6421
H5	2.2149	2.4639	1.0785	3.2898		1.8701
H6	2.1884	3.1159	1.0785	2.6421	1.8701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.121	C1	C3	H6	118.661
H2	C1	C3	113.886	H2	C1	O4	121.862
C3	C1	O4	124.253	H5	C3	H6	120.218

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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: MP2=FULL/6-31G(2df,p)

States and conformations

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