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

Listing of experimental geometry data for CH3ONO (Methyl nitrite)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for CH3ONO (Methyl nitrite).

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
rNO 1.182 6 7 1998Kuc cis structure
rNO 1.398 2 6 1998Kuc rs value, cis structure
rCO 1.437 1 2 1998Kuc cis structure
rCH 1.102 1 4 1998Kuc out of plane, assumed
rCH 1.090 1 3 1998Kuc inb-plane CH, assumed
aONO 114.8 2 6 7 1998Kuc cis structure
aCON 114.7 1 2 6 1998Kuc cis structure
aHCO 101.8 2 1 3 1998Kuc in plane H
aHCO 109.95 2 1 4 1998Kuc out of plane H
aHCH 108.1 4 1 5 1998Kuc out of plane Hs
aHCH 113.44 3 1 4 1998Kuc fro symmetry, in plane to out of plane Hs
picture of Methyl nitrite

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 3
C-O 1
N-O 1
N=O 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH3ONO (Methyl nitrite).


References
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squib reference DOI
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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