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	hartrees
Energy at 0K	-153.107026
Energy at 298.15K	-153.109682
HF Energy	-152.935315
Nuclear repulsion energy	63.730683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3158	2.28
2	A'	3172	3043	1.98
3	A'	2962	2842	94.53
4	A'	1638	1572	91.72
5	A'	1483	1423	12.77
6	A'	1417	1359	11.44
7	A'	1159	1112	31.18
8	A'	974	934	3.20
9	A'	506	485	12.87
10	A"	998	958	0.82
11	A"	749	719	35.30
12	A"	430	413	0.38

Atom	x (Å)	y (Å)
C1	0.000	0.445
H2	0.116	1.517
C3	1.077	-0.402
O4	-1.196	-0.036
H5	2.081	-0.019
H6	0.914	-1.465

	C1	H2	C3	O4	H5	H6
C1		1.0779	1.3703	1.2896	2.1323	2.1177
H2	1.0779		2.1464	2.0334	2.4941	3.0869
C3	1.3703	2.1464		2.3022	1.0755	1.0747
O4	1.2896	2.0334	2.3022		3.2777	2.5488
H5	2.1323	2.4941	1.0755	3.2777		1.8582
H6	2.1177	3.0869	1.0747	2.5488	1.8582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	120.870	C1	C3	H6	119.544
H2	C1	C3	122.048	H2	C1	O4	118.097
C3	C1	O4	119.855	H5	C3	H6	119.586

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

using model chemistry: B2PLYP/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	0.134
2	H	0.071
3	C	-0.213
4	O	-0.282
5	H	0.142
6	H	0.148

	x	y	z
x	5.124	-0.348	0.000
y	-0.348	4.119	0.000
z	0.000	0.000	2.401

<r²>	42.050
(<r²>)^1/2	6.485

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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