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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

1910171554
InChI=1S/C2H4N2/c3-1-2-4/h1,3H2 INChIKey=DFNYGALUNNFWKJ-UHFFFAOYSA-N

BLYP/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4702 0.7180 0.0000   -1.5803 -0.4239 0.0000
C2 0.0000 0.8283 0.0000   -0.5439 0.6247 0.0000
C3 0.7343 -0.4582 0.0000   0.8547 0.1366 0.0000
N4 1.2631 -1.4938 0.0000   1.9335 -0.2973 0.0000
H5 -1.7900 0.2004 0.8197   -1.4816 -1.0243 0.8197
H6 -1.7900 0.2004 -0.8197   -1.4816 -1.0243 -0.8197
H7 0.3121 1.4049 0.8799   -0.6872 1.2645 0.8799
H8 0.3121 1.4049 -0.8799   -0.6872 1.2645 -0.8799
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4743 2.4987 3.5161 1.0208 1.0208 2.1030 2.1030
C2 1.4743 1.4813 2.6434 2.0665 2.0665 1.0973 1.0973
C3 2.4987 1.4813 1.1628 2.7346 2.7346 2.1033 2.1033
N4 3.5161 2.6434 1.1628 3.5866 3.5866 3.1751 3.1751
H5 1.0208 2.0665 2.7346 3.5866 1.6395 2.4235 2.9595
H6 1.0208 2.0665 2.7346 3.5866 1.6395 2.9595 2.4235
H7 2.1030 1.0973 2.1033 3.1751 2.4235 2.9595 1.7598
H8 2.1030 1.0973 2.1033 3.1751 2.9595 2.4235 1.7598
Maximum atom distance is 3.5866Å between atoms N4 and H5.
picture of Aminoacetonitrile
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 115.427 C2 C3 N4 177.329
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 108.839 N1 C2 H8 108.839
C2 N1 H5 110.510 C2 N1 H6 110.510
C3 C2 H7 108.386 C3 C2 H8 108.386
H5 N1 H6 106.833 H7 C2 H8 106.615

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