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	hartrees
Energy at 0K	-152.310971
Energy at 298.15K	-152.313595
HF Energy	-152.310971
Nuclear repulsion energy	63.948647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3436	3436	3.65
2	A'	3311	3311	1.02
3	A'	3140	3140	83.05
4	A'	1917	1917	242.81
5	A'	1571	1571	13.95
6	A'	1508	1508	11.50
7	A'	1221	1221	58.96
8	A'	1020	1020	4.08
9	A'	537	537	18.31
10	A"	1071	1071	0.72
11	A"	668	668	51.97
12	A"	373	373	0.41

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.355	1.471
C3	1.032	-0.600
O4	-1.171	0.190
H5	2.078	-0.332
H6	0.741	-1.639

	C1	H2	C3	O4	H5	H6
C1		1.0998	1.4582	1.1955	2.2132	2.1972
H2	1.0998		2.1786	1.9929	2.4936	3.1333
C3	1.4582	2.1786		2.3405	1.0790	1.0791
O4	1.1955	1.9929	2.3405		3.2904	2.6450
H5	2.2132	2.4936	1.0790	3.2904		1.8695
H6	2.1972	3.1333	1.0791	2.6450	1.8695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.716	C1	C3	H6	119.234
H2	C1	C3	116.080	H2	C1	O4	120.456
C3	C1	O4	123.465	H5	C3	H6	120.050

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

using model chemistry: ROHF/aug-cc-pVDZ

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	0.785
2	H	-0.087
3	C	0.334
4	O	-0.636
5	H	-0.206
6	H	-0.191

	x	y	z	Total
	3.298	0.023	0.000	3.299
CHELPG
AIM
ESP

<r²>	42.300
(<r²>)^1/2	6.504

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

using model chemistry: ROHF/aug-cc-pVDZ

States and conformations

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