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Geometry for CHNHCH (1H-Azirine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3-1/h1-3H INChIKey=ZHKJHQBOAJQXQR-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0367 0.9068 0.0000   0.0026 -0.0366 0.9068
C2 -0.0367 -0.4806 0.6438   0.6448 0.0086 -0.4806
C3 -0.0367 -0.4806 -0.6438   -0.6397 -0.0818 -0.4806
H4 0.9559 1.2304 0.0000   -0.0671 0.9535 1.2304
H5 -0.1293 -0.9053 1.6384   1.6435 -0.0141 -0.9053
H6 -0.1293 -0.9053 -1.6384   -1.6253 -0.2440 -0.9053
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5296 1.5296 1.0440 2.4448 2.4448
C2 1.5296 1.2877 2.0802 1.0854 2.3233
C3 1.5296 1.2877 2.0802 2.3233 1.0854
H4 1.0440 2.0802 2.0802 2.9023 2.9023
H5 2.4448 1.0854 2.3233 2.9023 3.2769
H6 2.4448 2.3233 1.0854 2.9023 3.2769
Maximum atom distance is 3.2769Å between atoms H5 and H6.
picture of 1H-Azirine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 65.107 N1 C3 C2 65.107
C2 N1 C3 49.787
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.784 N1 C3 H6 137.784
C2 N1 H4 106.326 C2 C3 H6 156.393
C3 N1 H4 106.326 C3 C2 H5 156.393

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