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	hartrees
Energy at 0K	-152.364400
Energy at 298.15K	-152.367182
HF Energy	-152.364400
Nuclear repulsion energy	64.111874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3402	3084	3.97
2	A'	3292	2984	4.52
3	A'	3183	2885	58.14
4	A'	1593	1444	12.72
5	A'	1545	1400	8.97
6	A'	1410	1278	12.41
7	A'	1199	1087	15.02
8	A'	1048	950	4.41
9	A'	539	489	15.31
10	A"	1026	930	0.39
11	A"	791	717	46.01
12	A"	517	469	0.38

Atom	x (Å)	y (Å)
C1	0.000	0.444
H2	0.085	1.513
C3	1.082	-0.390
O4	-1.199	-0.049
H5	2.076	0.008
H6	0.942	-1.452

	C1	H2	C3	O4	H5	H6
C1		1.0720	1.3664	1.2967	2.1218	2.1175
H2	1.0720		2.1485	2.0219	2.4961	3.0863
C3	1.3664	2.1485		2.3066	1.0714	1.0708
O4	1.2967	2.0219	2.3066		3.2762	2.5603
H5	2.1218	2.4961	1.0714	3.2762		1.8488
H6	2.1175	3.0863	1.0708	2.5603	1.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.525	C1	C3	H6	120.159
H2	C1	C3	123.102	H2	C1	O4	116.896
C3	C1	O4	120.002	H5	C3	H6	119.317

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

using model chemistry: HF/Def2TZVPP

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	0.227
2	H	0.049
3	C	-0.104
4	O	-0.354
5	H	0.089
6	H	0.095

	x	y	z	Total
	2.773	0.170	0.000	2.778
CHELPG
AIM
ESP

	x	y	z
x	5.300	-0.231	0.000
y	-0.231	3.757	0.000
z	0.000	0.000	2.614

<r²>	41.582
(<r²>)^1/2	6.448

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

using model chemistry: HF/Def2TZVPP

States and conformations

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