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	hartrees
Energy at 0K	-152.315924
Energy at 298.15K	-152.318701
HF Energy	-152.315924
Nuclear repulsion energy	64.039319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3413	3090	4.28
2	A'	3300	2988	3.75
3	A'	3186	2884	63.24
4	A'	1591	1440	11.98
5	A'	1543	1397	7.70
6	A'	1418	1284	12.16
7	A'	1202	1089	14.89
8	A'	1047	948	3.78
9	A'	533	483	14.87
10	A"	1025	929	0.01
11	A"	781	707	39.43
12	A"	522	473	0.48

Atom	x (Å)	y (Å)
C1	0.000	0.430
H2	0.267	1.486
C3	1.050	-0.519
O4	-1.183	0.103
H5	2.079	-0.210
H6	0.815	-1.567

	C1	H2	C3	O4	H5	H6
C1		1.0891	1.4156	1.2274	2.1756	2.1574
H2	1.0891		2.1523	2.0037	2.4819	3.1020
C3	1.4156	2.1523		2.3185	1.0742	1.0744
O4	1.2274	2.0037	2.3185		3.2774	2.6047
H5	2.1756	2.4819	1.0742	3.2774		1.8545
H6	2.1574	3.1020	1.0744	2.6047	1.8545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.199	C1	C3	H6	119.459
H2	C1	C3	117.893	H2	C1	O4	119.643
C3	C1	O4	122.464	H5	C3	H6	119.342

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

using model chemistry: HF/6-31G(2df,p)

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	0.188
2	H	0.121
3	C	-0.337
4	O	-0.323
5	H	0.169
6	H	0.182

	x	y	z	Total
	2.637	0.147	0.000	2.641
CHELPG
AIM
ESP

	x	y	z
x	4.814	-0.221	0.000
y	-0.221	3.527	0.000
z	0.000	0.000	1.984

<r²>	41.452
(<r²>)^1/2	6.438

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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