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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

mPW1PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0552 1.3660 0.0000   1.3671 0.0000 0.0112
C2 0.0000 0.1595 0.0000   0.1593 0.0000 0.0077
N3 0.1284 -1.1864 0.0000   -1.1913 0.0000 0.0706
H4 -0.1193 2.4280 0.0000   2.4310 0.0000 -0.0012
H5 -0.2242 -1.6380 0.8342   -1.6251 0.8342 -0.3035
H6 -0.2242 -1.6380 -0.8342   -1.6251 -0.8342 -0.3035
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2078 2.5591 1.0639 3.1223 3.1223
C2 1.2078 1.3520 2.2717 1.9942 1.9942
N3 2.5591 1.3520 3.6229 1.0120 1.0120
H4 1.0639 2.2717 3.6229 4.1520 4.1520
H5 3.1223 1.9942 1.0120 4.1520 1.6684
H6 3.1223 1.9942 1.0120 4.1520 1.6684
Maximum atom distance is 4.1520Å 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 177.169
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.167 C2 N3 H5 114.272
C2 N3 H6 114.272 H5 N3 H6 111.038

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