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Geometry for CH2NN (diazomethane) 1A1 C2V

1910171554
InChI=1S/CH2N2/c1-3-2/h1H2 INChIKey=YXHKONLOYHBTNS-UHFFFAOYSA-N

PBEPBE/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1496   -1.1496 0.0000 0.0000
N2 0.0000 0.0000 0.1516   0.1516 0.0000 0.0000
N3 0.0000 0.0000 1.3085   1.3085 0.0000 0.0000
H4 0.0000 0.9601 -1.6617   -1.6617 0.9601 0.0000
H5 0.0000 -0.9601 -1.6617   -1.6617 -0.9601 0.0000
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C1 1.3012 2.4580 1.0881 1.0881
N2 1.3012 1.1569 2.0518 2.0518
N3 2.4580 1.1569 3.1215 3.1215
H4 1.0881 2.0518 3.1215 1.9201
H5 1.0881 2.0518 3.1215 1.9201
Maximum atom distance is 3.1215Å between atoms N3 and H4.
picture of diazomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 N3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 118.076 N2 C1 H5 118.076
H4 C1 H5 123.847

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.