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	hartrees
Energy at 0K	-28.310207
Energy at 298.15K	-28.312993
HF Energy	-28.310207
Nuclear repulsion energy	34.132345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3463	3121	30.18
2	A'	3354	3023	24.89
3	A'	3336	3007	39.46
4	A'	1603	1445	14.82
5	A'	1512	1363	5.84
6	A'	1289	1162	16.62
7	A'	1256	1133	6.29
8	A'	1037	935	0.17
9	A'	517	466	12.36
10	A"	958	863	7.12
11	A"	838	755	86.84
12	A"	560	505	0.06

Atom	x (Å)	y (Å)
C1	0.000	0.449
H2	0.158	1.520
C3	1.106	-0.449
O4	-1.231	0.009
H5	2.119	-0.076
H6	0.935	-1.515

	C1	H2	C3	O4	H5	H6
C1		1.0833	1.4246	1.3071	2.1832	2.1749
H2	1.0833		2.1858	2.0524	2.5287	3.1333
C3	1.4246	2.1858		2.3819	1.0797	1.0798
O4	1.3071	2.0524	2.3819		3.3515	2.6486
H5	2.1832	2.5287	1.0797	3.3515		1.8642
H6	2.1749	3.1333	1.0798	2.6486	1.8642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.710	C1	C3	H6	119.922
H2	C1	C3	120.676	H2	C1	O4	118.020
C3	C1	O4	121.304	H5	C3	H6	119.369

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

using model chemistry: HF/CEP-31G

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	-0.076
2	H	0.174
3	C	-0.248
4	O	-0.187
5	H	0.158
6	H	0.178

	x	y	z	Total
	2.990	0.536	0.000	3.037
CHELPG
AIM
ESP

	x	y	z
x	4.469	-0.329	0.000
y	-0.329	2.987	0.000
z	0.000	0.000	1.706

<r²>	37.026
(<r²>)^1/2	6.085

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

using model chemistry: HF/CEP-31G

States and conformations

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