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Geometry for CH3NC (methyl isocyanide) 1A1 C3V

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

BLYP/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1312   -1.1312 0.0000 -0.0000
N2 0.0000 0.0000 0.3177   0.3177 0.0000 0.0000
C3 0.0000 0.0000 1.5125   1.5125 0.0000 0.0000
H4 0.0000 1.0361 -1.5038   -1.5038 -1.0361 -0.0000
H5 0.8973 -0.5180 -1.5038   -1.5038 0.5180 -0.8973
H6 -0.8973 -0.5180 -1.5038   -1.5038 0.5180 0.8973
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.4489 2.6436 1.1011 1.1011 1.1011
N2 1.4489 1.1948 2.0955 2.0955 2.0955
C3 2.6436 1.1948 3.1892 3.1892 3.1892
H4 1.1011 2.0955 3.1892 1.7946 1.7946
H5 1.1011 2.0955 3.1892 1.7946 1.7946
H6 1.1011 2.0955 3.1892 1.7946 1.7946
Maximum atom distance is 3.1892Å 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 109.780 N2 C1 H5 109.780
N2 C1 H6 109.780 H4 C1 H5 109.161
H4 C1 H6 109.161 H5 C1 H6 109.161

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