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Geometry for (protonated methylamine) 1A1 C3V

1910171554
InChI=1S/CH5N/c1-2/h2H2,1H3/p+1 INChIKey=BAVYZALUXZFZLV-UHFFFAOYSA-O

MP3=FULL/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.7895   0.0000 0.7895 -0.0000
N2 0.0000 0.0000 0.7026   0.0000 -0.7026 0.0000
H3 0.0000 -1.0270 -1.1543   -1.0270 1.1543 -0.0000
H4 -0.8894 0.5135 -1.1543   0.5135 1.1543 0.8894
H5 0.8894 0.5135 -1.1543   0.5135 1.1543 -0.8894
H6 0.0000 0.9499 1.0940   0.9499 -1.0940 0.0000
H7 -0.8227 -0.4750 1.0940   -0.4750 -1.0940 0.8227
H8 0.8227 -0.4750 1.0940   -0.4750 -1.0940 -0.8227
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7 H8
C1 1.4921 1.0899 1.0899 1.0899 2.1096 2.1096 2.1096
N2 1.4921 2.1219 2.1219 2.1219 1.0275 1.0275 1.0275
H3 1.0899 2.1219 1.7789 1.7789 2.9939 2.4569 2.4569
H4 1.0899 2.1219 1.7789 1.7789 2.4569 2.4569 2.9939
H5 1.0899 2.1219 1.7789 1.7789 2.4569 2.9939 2.4569
H6 2.1096 1.0275 2.9939 2.4569 2.4569 1.6454 1.6454
H7 2.1096 1.0275 2.4569 2.4569 2.9939 1.6454 1.6454
H8 2.1096 1.0275 2.4569 2.9939 2.4569 1.6454 1.6454
Maximum atom distance is 2.9939Å between atoms H3 and H6.
picture of protonated methylamine
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 H6 112.397 C1 N2 H7 112.397
C1 N2 H8 112.397 N2 C1 H3 109.551
N2 C1 H4 109.551 N2 C1 H5 109.551
H3 C1 H4 109.391 H3 C1 H5 109.391
H4 C1 H5 109.391 H6 N2 H7 106.393
H6 N2 H8 106.393 H7 N2 H8 106.393

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