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	hartrees
Energy at 0K	-153.171643
Energy at 298.15K	-153.174232
HF Energy	-153.171643
Nuclear repulsion energy	63.076480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3157	7.50
2	A'	3057	3045	4.40
3	A'	2819	2808	123.06
4	A'	1496	1490	41.45
5	A'	1431	1426	11.03
6	A'	1354	1349	13.22
7	A'	1122	1118	17.50
8	A'	948	944	3.80
9	A'	492	490	11.84
10	A"	944	940	1.07
11	A"	725	722	32.89
12	A"	414	413	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.299	1.505
C3	1.067	-0.526
O4	-1.204	0.109
H5	2.111	-0.212
H6	0.826	-1.589

	C1	H2	C3	O4	H5	H6
C1		1.1161	1.4318	1.2464	2.2065	2.1812
H2	1.1161		2.1709	2.0516	2.4964	3.1387
C3	1.4318	2.1709		2.3579	1.0908	1.0904
O4	1.2464	2.0516	2.3579		3.3311	2.6467
H5	2.2065	2.4964	1.0908	3.3311		1.8839
H6	2.1812	3.1387	1.0904	2.6467	1.8839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.431	C1	C3	H6	119.100
H2	C1	C3	116.318	H2	C1	O4	120.447
C3	C1	O4	123.235	H5	C3	H6	119.469

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

using model chemistry: BLYP/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	0.105
2	H	0.065
3	C	-0.167
4	O	-0.254
5	H	0.119
6	H	0.132

	x	y	z	Total
	2.717	-0.039	0.000	2.717
CHELPG
AIM
ESP

	x	y	z
x	5.267	-0.401	0.000
y	-0.401	4.177	0.000
z	0.000	0.000	2.006

<r²>	42.663
(<r²>)^1/2	6.532

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

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

States and conformations

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