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	hartrees
Energy at 0K	-152.345763
Energy at 298.15K	-152.348390
HF Energy	-152.345763
Nuclear repulsion energy	64.253057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3078	3.99
2	A'	3299	2973	1.09
3	A'	3112	2804	94.81
4	A'	1936	1744	228.41
5	A'	1583	1426	14.91
6	A'	1528	1377	10.57
7	A'	1220	1100	59.07
8	A'	1019	918	5.87
9	A'	541	487	18.07
10	A"	1083	976	1.26
11	A"	657	592	47.39
12	A"	377	340	0.55

Atom	x (Å)	y (Å)
C1	0.000	0.428
H2	0.360	1.461
C3	1.027	-0.602
O4	-1.165	0.194
H5	2.066	-0.342
H6	0.733	-1.632

	C1	H2	C3	O4	H5	H6
C1		1.0935	1.4546	1.1884	2.2051	2.1868
H2	1.0935		2.1679	1.9824	2.4823	3.1153
C3	1.4546	2.1679		2.3322	1.0712	1.0713
O4	1.1884	1.9824	2.3322		3.2755	2.6341
H5	2.2051	2.4823	1.0712	3.2755		1.8550
H6	2.1868	3.1153	1.0713	2.6341	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.878	C1	C3	H6	119.160
H2	C1	C3	115.870	H2	C1	O4	120.572
C3	C1	O4	123.558	H5	C3	H6	119.961

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

using model chemistry: ROHF/cc-pVTZ

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	0.199
2	H	0.084
3	C	-0.262
4	O	-0.341
5	H	0.157
6	H	0.163

	x	y	z	Total
	3.179	0.011	0.000	3.179
CHELPG
AIM
ESP

<r²>	41.913
(<r²>)^1/2	6.474

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

using model chemistry: ROHF/cc-pVTZ

States and conformations

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