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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

B2PLYP=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.5097 0.7425 0.0000   1.6224 0.4452 0.0000
C2 0.0000 0.8649 0.0000   0.5735 -0.6475 0.0000
C3 0.7449 -0.4578 0.0000   -0.8612 -0.1512 0.0000
N4 1.2807 -1.5374 0.0000   -1.9781 0.3017 0.0000
H5 -1.7370 0.1208 0.8257   1.3803 1.0613 0.8257
H6 -1.7370 0.1208 -0.8257   1.3803 1.0613 -0.8257
H7 0.3036 1.4403 0.8967   0.7277 -1.2795 0.8967
H8 0.3036 1.4403 -0.8967   0.7277 -1.2795 -0.8967
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.5147 2.5543 3.6034 1.0583 1.0583 2.1399 2.1399
C2 1.5147 1.5181 2.7224 2.0622 2.0622 1.1078 1.1078
C3 2.5543 1.5181 1.2052 2.6789 2.6789 2.1452 2.1452
N4 3.6034 2.7224 1.2052 3.5409 3.5409 3.2597 3.2597
H5 1.0583 2.0622 2.6789 3.5409 1.6514 2.4311 2.9786
H6 1.0583 2.0622 2.6789 3.5409 1.6514 2.9786 2.4311
H7 2.1399 1.1078 2.1452 3.2597 2.4311 2.9786 1.7934
H8 2.1399 1.1078 2.1452 3.2597 2.9786 2.4311 1.7934
Maximum atom distance is 3.6034Å between atoms N1 and N4.
picture of Aminoacetonitrile
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 114.750 C2 C3 N4 177.008
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 108.371 N1 C2 H8 108.371
C2 N1 H5 105.162 C2 N1 H6 105.162
C3 C2 H7 108.544 C3 C2 H8 108.544
H5 N1 H6 102.560 H7 C2 H8 108.077

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