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

Listing of experimental geometry data for CH2NN (diazomethane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
9.11200 0.37711 0.36176
Rotational Constants from 1966Herzberg
Calculated rotational constants for CH2NN (diazomethane).

Point Group C2v

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
rHC 1.075 1 4 1976Hellwege(II/7) r0
aHCH 126 4 1 5 1976Hellwege(II/7) a0
rCN 1.300 1 2 1976Hellwege(II/7) rs
rNN 1.139 2 3 1976Hellwege(II/7) rs
picture of diazomethane

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
H-C 2
N=N 1

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.1453
N2 0.0000 0.0000 0.1547
N3 0.0000 0.0000 1.2937
H4 0.0000 0.9578 -1.6334
H5 0.0000 -0.9578 -1.6334

Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C11.30002.43901.07501.0750
N21.30001.13902.02842.0284
N32.43901.13903.07983.0798
H41.07502.02843.07981.9157
H51.07502.02843.07981.9157

Calculated geometries for CH2NN (diazomethane).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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