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Listing of experimental geometry data for CH2NOH (formaldoxime)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
2.25750 0.39558 0.33623
Rotational Constants from 1962Lev:276
Calculated rotational constants for CH2NOH (formaldoxime).

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
rCH 1.085 1 4 1963Lev:2326
rCH 1.086 1 5 1963Lev:2326
rCN 1.276 1 2 1963Lev:2326
rNO 1.408 2 3 1963Lev:2326
rOH 0.956 3 6 1963Lev:2326
aHCN 121.77 2 1 4 1963Lev:2326
aHCN 115.55 2 1 5 1963Lev:2326
aCNO 110.2 1 2 3 1963Lev:2326
picture of formaldoxime

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-C 2
H-O 1
Atom x (Å) y (Å) z (Å)
C1 1.1386 -0.0292 0.0000
N2 0.0000 0.5468 0.0000
O3 -1.0303 -0.4128 0.0000
H4 1.2319 -1.1102 0.0000
H5 1.9988 0.6336 0.0000
H6 -1.8196 0.1267 0.0000

Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C11.27602.20261.08501.08602.9623
N21.27601.40802.06482.00071.8674
O32.20261.40802.36733.20480.9560
H41.08502.06482.36731.90503.2926
H51.08602.00073.20481.90503.8519
H62.96231.86740.95603.29263.8519

Calculated geometries for CH2NOH (formaldoxime).
References
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squib reference DOI
1962Lev:276 IN Levine "The microwave spectrum of formaldoxime" J. Mol. Spect. 8, 276-284, 1962 10.1016/0022-2852(62)90028-0
1963Lev:2326 IN Levine "Structure of Formaldoxime" J. Chem. Phys. 33(10) 2326, 1963 10.1063/1.1733504

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