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Geometry for CH2NN (diazomethane) 1A1 C2V

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

mPW1PW91/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1326   -1.1326 0.0000 0.0000
N2 0.0000 0.0000 0.1548   0.1548 0.0000 0.0000
N3 0.0000 0.0000 1.2830   1.2830 0.0000 0.0000
H4 0.0000 0.9511 -1.6345   -1.6345 0.9511 0.0000
H5 0.0000 -0.9511 -1.6345   -1.6345 -0.9511 0.0000
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C1 1.2874 2.4156 1.0754 1.0754
N2 1.2874 1.1281 2.0264 2.0264
N3 2.4156 1.1281 3.0686 3.0686
H4 1.0754 2.0264 3.0686 1.9022
H5 1.0754 2.0264 3.0686 1.9022
Maximum atom distance is 3.0686Å 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 117.819 N2 C1 H5 117.819
H4 C1 H5 124.362

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