return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH2NH (Methanimine) 1A' CS

1910171554
InChI=1S/CH3N/c1-2/h2H,1H2 INChIKey=WDWDWGRYHDPSDS-UHFFFAOYSA-N

HF/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0746 0.5633 0.0000   0.5564 0.1152 0.0000
N2 0.0746 -0.6944 0.0000   -0.6980 0.0240 0.0000
H3 -0.8220 1.1788 0.0000   1.2353 -0.7343 0.0000
H4 1.0188 1.0924 0.0000   1.0156 1.0953 0.0000
H5 -0.8679 -1.0525 0.0000   -0.9868 -0.9420 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.2577 1.0875 1.0824 1.8706
N2 1.2577 2.0767 2.0209 1.0082
H3 1.0875 2.0767 1.8428 2.2318
H4 1.0824 2.0209 1.8428 2.8567
H5 1.8706 1.0082 2.2318 2.8567
Maximum atom distance is 2.8567Å between atoms H4 and H5.
picture of Methanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 110.808 N2 C1 H3 124.471
N2 C1 H4 119.263 H3 C1 H4 116.266

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