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Geometry for CH3NC (methyl isocyanide) 1A1 C3V

1910171554
InChI=1S/C2H3N/c1-3-2/h1H3 INChIKey=ZRKSVHFXTRFQFL-UHFFFAOYSA-N

HF/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1048   -1.1048 -0.0000 0.0000
N2 0.0000 0.0000 0.3182   0.3182 0.0000 0.0000
C3 0.0000 0.0000 1.4663   1.4663 0.0000 0.0000
H4 0.0000 1.0182 -1.4655   -1.4655 -1.0182 0.0000
H5 0.8818 -0.5091 -1.4655   -1.4655 0.5091 -0.8818
H6 -0.8818 -0.5091 -1.4655   -1.4655 0.5091 0.8818
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.4230 2.5711 1.0802 1.0802 1.0802
N2 1.4230 1.1481 2.0538 2.0538 2.0538
C3 2.5711 1.1481 3.1035 3.1035 3.1035
H4 1.0802 2.0538 3.1035 1.7636 1.7636
H5 1.0802 2.0538 3.1035 1.7636 1.7636
H6 1.0802 2.0538 3.1035 1.7636 1.7636
Maximum atom distance is 3.1035Å between atoms C3 and H4.
picture of methyl isocyanide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 109.506 N2 C1 H5 109.506
N2 C1 H6 109.506 H4 C1 H5 109.436
H4 C1 H6 109.436 H5 C1 H6 109.436

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