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/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0554 0.5751 0.0000   0.5691 0.0993 0.0000
N2 0.0554 -0.6707 0.0000   -0.6730 0.0038 0.0000
H3 -0.8407 1.1835 0.0000   1.2445 -0.7475 0.0000
H4 0.9959 1.1047 0.0000   1.0251 1.0776 0.0000
H5 -0.8755 -1.0436 0.0000   -0.9734 -0.9529 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.2458 1.0831 1.0793 1.8673
N2 1.2458 2.0594 2.0091 1.0028
H3 1.0831 2.0594 1.8382 2.2274
H4 1.0793 2.0091 1.8382 2.8491
H5 1.8673 1.0028 2.2274 2.8491
Maximum atom distance is 2.8491Å 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 111.829 N2 C1 H3 124.178
N2 C1 H4 119.385 H3 C1 H4 116.437

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