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	hartrees
Energy at 0K	-152.340487
Energy at 298.15K	-152.343274
HF Energy	-152.340487
Nuclear repulsion energy	63.990587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3403	3092	5.49
2	A'	3291	2990	4.49
3	A'	3193	2900	65.54
4	A'	1590	1445	15.04
5	A'	1537	1397	7.85
6	A'	1402	1274	10.99
7	A'	1201	1091	15.60
8	A'	1048	953	3.38
9	A'	539	489	15.52
10	A"	1019	926	0.35
11	A"	784	713	45.75
12	A"	525	477	0.61

Atom	x (Å)	y (Å)
C1	0.000	0.432
H2	0.257	1.489
C3	1.053	-0.514
O4	-1.184	0.097
H5	2.081	-0.202
H6	0.818	-1.563

	C1	H2	C3	O4	H5	H6
C1		1.0883	1.4151	1.2305	2.1751	2.1561
H2	1.0883		2.1553	2.0042	2.4867	3.1032
C3	1.4151	2.1553		2.3186	1.0746	1.0747
O4	1.2305	2.0042	2.3186		3.2784	2.6008
H5	2.1751	2.4867	1.0746	3.2784		1.8564
H6	2.1561	3.1032	1.0747	2.6008	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.159	C1	C3	H6	119.356
H2	C1	C3	118.256	H2	C1	O4	119.487
C3	C1	O4	122.256	H5	C3	H6	119.485

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

using model chemistry: HF/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	0.170
2	H	0.080
3	C	-0.201
4	O	-0.313
5	H	0.124
6	H	0.140

	x	y	z	Total
	2.688	0.196	0.000	2.695
CHELPG
AIM
ESP

	x	y	z
x	4.848	-0.201	0.000
y	-0.201	3.457	0.000
z	0.000	0.000	1.954

<r²>	41.625
(<r²>)^1/2	6.452

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

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

States and conformations

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