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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

B2PLYP=FULL/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0384 0.9673 0.0000   0.9628 0.0000 -0.1009
C2 -0.0384 -0.5085 0.6434   -0.5099 0.6434 -0.0055
C3 -0.0384 -0.5085 -0.6434   -0.5099 -0.6434 -0.0055
H4 0.9723 1.2405 0.0000   1.3008 0.0000 0.8901
H5 -0.1212 -0.9548 1.6109   -0.9606 1.6109 -0.0592
H6 -0.1212 -0.9548 -1.6109   -0.9606 -1.6109 -0.0592
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.6099 1.6099 1.0470 2.5092 2.5092
C2 1.6099 1.2868 2.1200 1.0687 2.2995
C3 1.6099 1.2868 2.1200 2.2995 1.0687
H4 1.0470 2.1200 2.1200 2.9343 2.9343
H5 2.5092 1.0687 2.2995 2.9343 3.2218
H6 2.5092 2.2995 1.0687 2.9343 3.2218
Maximum atom distance is 3.2218Å 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 66.444 N1 C3 C2 66.444
C2 N1 C3 47.112
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 138.126 N1 C3 H6 138.126
C2 N1 H4 103.841 C2 C3 H6 154.867
C3 N1 H4 103.841 C3 C2 H5 154.867

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