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Geometry for (protonated methylamine) 1A1 C3V

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

B3LYP/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.8252   0.0000 0.8252 0.0000
N2 0.0000 0.0000 0.7273   0.0000 -0.7273 -0.0000
H3 0.0000 -1.0540 -1.1587   -1.0540 1.1587 0.0000
H4 -0.9128 0.5270 -1.1587   0.5270 1.1587 0.9128
H5 0.9128 0.5270 -1.1587   0.5270 1.1587 -0.9128
H6 0.0000 0.9907 1.1120   0.9907 -1.1120 -0.0000
H7 -0.8580 -0.4954 1.1120   -0.4954 -1.1120 0.8580
H8 0.8580 -0.4954 1.1120   -0.4954 -1.1120 -0.8580
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7 H8
C1 1.5525 1.1055 1.1055 1.1055 2.1759 2.1759 2.1759
N2 1.5525 2.1606 2.1606 2.1606 1.0628 1.0628 1.0628
H3 1.1055 2.1606 1.8256 1.8256 3.0557 2.4909 2.4909
H4 1.1055 2.1606 1.8256 1.8256 2.4909 2.4909 3.0557
H5 1.1055 2.1606 1.8256 1.8256 2.4909 3.0557 2.4909
H6 2.1759 1.0628 3.0557 2.4909 2.4909 1.7160 1.7160
H7 2.1759 1.0628 2.4909 2.4909 3.0557 1.7160 1.7160
H8 2.1759 1.0628 2.4909 3.0557 2.4909 1.7160 1.7160
Maximum atom distance is 3.0557Å 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 111.221 C1 N2 H7 111.221
C1 N2 H8 111.221 N2 C1 H3 107.560
N2 C1 H4 107.560 N2 C1 H5 107.560
H3 C1 H4 111.313 H3 C1 H5 111.313
H4 C1 H5 111.313 H6 N2 H7 107.666
H6 N2 H8 107.666 H7 N2 H8 107.666

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