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	hartrees
Energy at 0K	-153.029167
Energy at 298.15K	-153.031740
HF Energy	-153.029167
Nuclear repulsion energy	63.201665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3160	5.08
2	A'	3071	3043	3.33
3	A'	2832	2806	119.18
4	A'	1537	1523	50.88
5	A'	1421	1408	12.72
6	A'	1350	1338	10.09
7	A'	1129	1119	16.25
8	A'	945	936	3.30
9	A'	487	483	11.65
10	A"	940	932	1.14
11	A"	713	707	34.55
12	A"	406	402	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.429
H2	0.305	1.505
C3	1.062	-0.529
O4	-1.200	0.113
H5	2.110	-0.220
H6	0.813	-1.593

	C1	H2	C3	O4	H5	H6
C1		1.1184	1.4306	1.2409	2.2072	2.1796
H2	1.1184		2.1711	2.0498	2.4969	3.1397
C3	1.4306	2.1711		2.3513	1.0925	1.0922
O4	1.2409	2.0498	2.3513		3.3263	2.6389
H5	2.2072	2.4969	1.0925	3.3263		1.8883
H6	2.1796	3.1397	1.0922	2.6389	1.8883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.471	C1	C3	H6	118.918
H2	C1	C3	116.269	H2	C1	O4	120.563
C3	C1	O4	123.168	H5	C3	H6	119.612

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

using model chemistry: PBEPBE/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	0.091
2	H	0.076
3	C	-0.193
4	O	-0.252
5	H	0.133
6	H	0.146

	x	y	z	Total
	2.700	-0.059	0.000	2.700
CHELPG
AIM
ESP

	x	y	z
x	5.220	-0.386	0.000
y	-0.386	4.161	0.000
z	0.000	0.000	2.008

<r²>	42.461
(<r²>)^1/2	6.516

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

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

States and conformations

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