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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH3CHNOH (Acetaldoxime)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
1.48814 0.14136 0.13255
Rotational Constants from 1969Rog/Sch:397
Calculated rotational constants for CH3CHNOH (Acetaldoxime).

Point Group Cs

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCN 1.276 2 3 1969Rog/Sch:397 !assumed
rNO 1.408 3 4 1969Rog/Sch:397 !assumed
rOH 0.956 4 5 1969Rog/Sch:397 !assumed
rCH 1.085 2 9 1969Rog/Sch:397 !assumed
rCH 1.100 1 6 1969Rog/Sch:397 !assumed
rCC 1.550 1 2 1969Rog/Sch:397 !assumed
aHON 103 3 4 5 1969Rog/Sch:397 !assumed
aCNO 110 2 3 4 1969Rog/Sch:397 !assumed
aHCN 122 3 2 9 1969Rog/Sch:397 !assumed
aCCN 116 1 2 3 1969Rog/Sch:397 !assumed
aHCH 109.4 6 1 7 1969Rog/Sch:397 !assumed
picture of Acetaldoxime

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C=N 1
N-O 1
H-O 1
H-C 4
C-C 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH3CHNOH (Acetaldoxime).


References
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squib reference DOI
1969Rog/Sch:397 Rogowski, Schwendeman, Microwave Spectra, Barriers to Internal Rotation, Quadrupole Coupling Constants, and Dipole Moments of cis- and trans-Acetaldoxime 10.1063/1.1670810

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