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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

B2PLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0026 1.3889 0.0000   1.3888 0.0000 0.0189
C2 0.0000 0.1809 0.0000   0.1809 0.0000 0.0021
N3 0.1150 -1.2384 0.0000   -1.2396 0.0000 0.1005
H4 -0.0045 2.4648 0.0000   2.4647 0.0000 0.0245
H5 -0.4080 -1.6075 0.8380   -1.6026 0.8380 -0.4268
H6 -0.4080 -1.6075 -0.8380   -1.6026 -0.8380 -0.4268
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2080 2.6297 1.0760 3.1384 3.1384
C2 1.2080 1.4239 2.2839 2.0167 2.0167
N3 2.6297 1.4239 3.7051 1.0545 1.0545
H4 1.0760 2.2839 3.7051 4.1772 4.1772
H5 3.1384 2.0167 1.0545 4.1772 1.6761
H6 3.1384 2.0167 1.0545 4.1772 1.6761
Maximum atom distance is 4.1772Å 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 175.246
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.505 C2 N3 H5 107.991
C2 N3 H6 107.991 H5 N3 H6 105.250

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