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Geometry for CH2NH (Methanimine) 1A' CS

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

MP3/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0566 0.5839 0.0000   0.5779 0.1008 0.0000
N2 0.0566 -0.6838 0.0000   -0.6861 0.0045 0.0000
H3 -0.8403 1.2027 0.0000   1.2631 -0.7465 0.0000
H4 1.0072 1.1072 0.0000   1.0275 1.0884 0.0000
H5 -0.9026 -1.0264 0.0000   -0.9549 -0.9779 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.2677 1.0897 1.0851 1.8743
N2 1.2677 2.0889 2.0276 1.0185
H3 1.0897 2.0889 1.8500 2.2300
H4 1.0851 2.0276 1.8500 2.8635
H5 1.8743 1.0185 2.2300 2.8635
Maximum atom distance is 2.8635Å 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 109.657 N2 C1 H3 124.606
N2 C1 H4 118.833 H3 C1 H4 116.561

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