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	hartrees
Energy at 0K	-152.269498
Energy at 298.15K	-152.272225
HF Energy	-152.269498
Nuclear repulsion energy	63.142111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3141	1.69
2	A'	3199	3032	1.03
3	A'	3022	2864	78.97
4	A'	1517	1438	13.20
5	A'	1493	1416	0.48
6	A'	1376	1304	11.72
7	A'	1161	1100	16.50
8	A'	1009	957	2.02
9	A'	506	480	11.00
10	A"	1022	969	0.06
11	A"	807	765	64.71
12	A"	498	472	0.06

Atom	x (Å)	y (Å)
C1	0.000	0.444
H2	0.110	1.521
C3	1.098	-0.375
O4	-1.220	-0.065
H5	2.100	0.033
H6	0.961	-1.446

	C1	H2	C3	O4	H5	H6
C1		1.0826	1.3700	1.3223	2.1400	2.1206
H2	1.0826		2.1381	2.0702	2.4850	3.0869
C3	1.3700	2.1381		2.3393	1.0814	1.0802
O4	1.3223	2.0702	2.3393		3.3218	2.5818
H5	2.1400	2.4850	1.0814	3.3218		1.8668
H6	2.1206	3.0869	1.0802	2.5818	1.8668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.151	C1	C3	H6	119.401
H2	C1	C3	120.873	H2	C1	O4	118.481
C3	C1	O4	120.646	H5	C3	H6	119.449

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

using model chemistry: wB97X-D/3-21G*

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	0.155
2	H	0.191
3	C	-0.419
4	O	-0.416
5	H	0.234
6	H	0.254

	x	y	z	Total
	2.791	0.024	0.000	2.791
CHELPG
AIM
ESP

	x	y	z
x	4.471	-0.304	0.000
y	-0.304	3.302	0.000
z	0.000	0.000	1.194

<r²>	42.259
(<r²>)^1/2	6.501

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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