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Geometry for CH2NN (diazomethane) 1A1 C2V

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

MP2/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0336 -1.1802 0.0000   0.0048 0.0333 -1.1802
N2 0.0000 0.1596 0.0000   0.0000 0.0000 0.1596
N3 -0.1254 1.3104 0.0000   -0.0180 -0.1241 1.3104
H4 0.3381 -1.6047 0.9487   0.9874 0.1981 -1.6047
H5 0.3381 -1.6047 -0.9487   -0.8902 0.4710 -1.6047
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C1 1.3402 2.4956 1.0830 1.0830
N2 1.3402 1.1576 2.0315 2.0315
N3 2.4956 1.1576 3.1004 3.1004
H4 1.0830 2.0315 3.1004 1.8974
H5 1.0830 2.0315 3.1004 1.8974
Maximum atom distance is 3.1004Å 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 175.218
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 113.509 N2 C1 H5 113.509
H4 C1 H5 122.321

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