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Geometry for HCCNH2 (Ethynamine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3/h1H,3H2 INChIKey=

MP2/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0146 1.3728 0.0000   1.3729 0.0000 0.0125
C2 0.0000 0.1593 0.0000   0.1592 0.0000 0.0031
N3 0.0985 -1.1964 0.0000   -1.1981 0.0000 0.0748
H4 -0.0368 2.4326 0.0000   2.4328 0.0000 0.0113
H5 -0.2824 -1.6252 0.8310   -1.6193 0.8310 -0.3145
H6 -0.2824 -1.6252 -0.8310   -1.6193 -0.8310 -0.3145
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2137 2.5717 1.0599 3.1226 3.1226
C2 1.2137 1.3593 2.2736 1.9886 1.9886
N3 2.5717 1.3593 3.6315 1.0096 1.0096
H4 1.0599 2.2736 3.6315 4.1492 4.1492
H5 3.1226 1.9886 1.0096 4.1492 1.6619
H6 3.1226 1.9886 1.0096 4.1492 1.6619
Maximum atom distance is 4.1492Å between atoms H4 and H5.
picture of Ethynamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 176.536
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.491 C2 N3 H5 113.343
C2 N3 H6 113.343 H5 N3 H6 110.777

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