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	hartrees
Energy at 0K	-152.341950
Energy at 298.15K	-152.344496
HF Energy	-152.341950
Nuclear repulsion energy	63.526250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3153	1.13
2	A'	3090	3032	0.95
3	A'	2857	2803	94.19
4	A'	1596	1566	43.90
5	A'	1429	1403	13.53
6	A'	1350	1325	8.43
7	A'	1165	1143	8.98
8	A'	952	934	3.81
9	A'	483	474	11.84
10	A"	943	926	2.66
11	A"	708	695	38.08
12	A"	388	381	0.25

Atom	x (Å)	y (Å)
C1	0.000	0.429
H2	0.292	1.511
C3	1.056	-0.511
O4	-1.193	0.095
H5	2.105	-0.196
H6	0.810	-1.578

	C1	H2	C3	O4	H5	H6
C1		1.1209	1.4136	1.2387	2.1958	2.1639
H2	1.1209		2.1613	2.0517	2.4902	3.1319
C3	1.4136	2.1613		2.3292	1.0951	1.0952
O4	1.2387	2.0517	2.3292		3.3108	2.6095
H5	2.1958	2.4902	1.0951	3.3108		1.8941
H6	2.1639	3.1319	1.0952	2.6095	1.8941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.637	C1	C3	H6	118.654
H2	C1	C3	116.557	H2	C1	O4	120.728
C3	C1	O4	122.715	H5	C3	H6	119.709

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

using model chemistry: LSDA/6-31G**

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	0.190
2	H	0.094
3	C	-0.255
4	O	-0.352
5	H	0.153
6	H	0.170

	x	y	z	Total
	2.742	-0.092	0.000	2.743
CHELPG
AIM
ESP

	x	y	z
x	4.956	-0.345	0.000
y	-0.345	3.891	0.000
z	0.000	0.000	1.644

<r²>	41.812
(<r²>)^1/2	6.466

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

using model chemistry: LSDA/6-31G**

States and conformations

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