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Geometry for CH2NH (Methanimine) 1A' CS

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

BLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0564 0.5892 0.0000   0.5831 0.1016 0.0000
N2 0.0564 -0.6926 0.0000   -0.6948 0.0028 0.0000
H3 -0.8381 1.2416 0.0000   1.3024 -0.7400 0.0000
H4 1.0240 1.1152 0.0000   1.0330 1.1068 0.0000
H5 -0.9186 -1.0440 0.0000   -0.9702 -0.9962 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.2817 1.1071 1.1013 1.9021
N2 1.2817 2.1309 2.0504 1.0363
H3 1.1071 2.1309 1.8663 2.2870
H4 1.1013 2.0504 1.8663 2.9044
H5 1.9021 1.0363 2.2870 2.9044
Maximum atom distance is 2.9044Å 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 109.826 N2 C1 H3 126.106
N2 C1 H4 118.530 H3 C1 H4 115.365

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