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Geometry for CH2NH (Methanimine) 1A' CS

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

B2PLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0557 0.5866 0.0000   0.5806 0.1005 0.0000
N2 0.0557 -0.6864 0.0000   -0.6886 0.0028 0.0000
H3 -0.8362 1.2259 0.0000   1.2864 -0.7396 0.0000
H4 1.0119 1.1126 0.0000   1.0317 1.0943 0.0000
H5 -0.8992 -1.0538 0.0000   -0.9817 -0.9775 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.2730 1.0973 1.0913 1.8981
N2 1.2730 2.1100 2.0373 1.0232
H3 1.0973 2.1100 1.8515 2.2806
H4 1.0913 2.0373 1.8515 2.8889
H5 1.8981 1.0232 2.2806 2.8889
Maximum atom distance is 2.8889Å 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 111.048 N2 C1 H3 125.632
N2 C1 H4 118.816 H3 C1 H4 115.552

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