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	hartrees
Energy at 0K	-153.236833
Energy at 298.15K	-153.239508
HF Energy	-153.236833
Nuclear repulsion energy	63.691664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3147	2.50
2	A'	3142	3040	2.09
3	A'	2944	2848	80.30
4	A'	1543	1493	41.72
5	A'	1475	1427	11.27
6	A'	1397	1352	14.48
7	A'	1161	1124	21.35
8	A'	980	948	3.37
9	A'	507	491	12.24
10	A"	983	951	0.44
11	A"	768	743	35.80
12	A"	447	432	0.33

Atom	x (Å)	y (Å)
C1	0.000	0.427
H2	0.284	1.493
C3	1.056	-0.521
O4	-1.192	0.107
H5	2.090	-0.205
H6	0.823	-1.577

	C1	H2	C3	O4	H5	H6
C1		1.1031	1.4191	1.2339	2.1833	2.1659
H2	1.1031		2.1568	2.0243	2.4786	3.1164
C3	1.4191	2.1568		2.3340	1.0812	1.0812
O4	1.2339	2.0243	2.3340		3.2965	2.6254
H5	2.1833	2.4786	1.0812	3.2965		1.8678
H6	2.1659	3.1164	1.0812	2.6254	1.8678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.079	C1	C3	H6	119.436
H2	C1	C3	116.992	H2	C1	O4	119.936
C3	C1	O4	123.072	H5	C3	H6	119.484

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	-0.012
2	H	0.471
3	C	-0.604
4	O	-0.549
5	H	0.310
6	H	0.384

	x	y	z	Total
	3.022	0.003	0.000	3.022
CHELPG
AIM
ESP

	x	y	z
x	5.899	-0.365	-0.000
y	-0.365	4.619	0.000
z	-0.000	0.000	3.224

<r²>	42.159
(<r²>)^1/2	6.493

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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