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	hartrees
Energy at 0K	-151.108096
Energy at 298.15K	-151.110567
HF Energy	-151.108096
Nuclear repulsion energy	61.987659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3573	3155	0.77
2	A'	3399	3001	13.99
3	A'	3264	2882	13.56
4	A'	1587	1401	2.43
5	A'	1496	1321	2.12
6	A'	1340	1183	7.97
7	A'	1093	965	4.89
8	A'	1035	914	0.79
9	A'	487	430	4.39
10	A"	965	852	1.40
11	A"	756	667	26.81
12	A"	471	416	5.04

Atom	x (Å)	y (Å)
C1	0.000	0.429
H2	0.243	1.520
C3	1.105	-0.453
O4	-1.245	0.030
H5	2.135	-0.077
H6	0.958	-1.539

	C1	H2	C3	O4	H5	H6
C1		1.1177	1.4132	1.3078	2.1937	2.1891
H2	1.1177		2.1524	2.1063	2.4754	3.1418
C3	1.4132	2.1524		2.3988	1.0964	1.0967
O4	1.3078	2.1063	2.3988		3.3816	2.7048
H5	2.1937	2.4754	1.0964	3.3816		1.8771
H6	2.1891	3.1418	1.0967	2.7048	1.8771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.371	C1	C3	H6	120.910
H2	C1	C3	116.029	H2	C1	O4	120.343
C3	C1	O4	123.628	H5	C3	H6	117.719

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

using model chemistry: B1B95/STO-3G

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	0.025
2	H	0.066
3	C	-0.132
4	O	-0.145
5	H	0.091
6	H	0.095

	x	y	z	Total
	1.715	0.045	0.000	1.716
CHELPG
AIM
ESP

	x	y	z
x	3.089	-0.280	0.000
y	-0.280	1.997	0.000
z	0.000	0.000	0.618

<r²>	42.384
(<r²>)^1/2	6.510

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

using model chemistry: B1B95/STO-3G

States and conformations

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