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Geometry for CH3NO (nitrosomethane) 1A' CS

1910171554
InChI=1S/CH3NO/c1-2-3/h1H3 INChIKey=IMHRONYAKYWGCC-UHFFFAOYSA-N

B2PLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9537 -0.5615 0.0000   1.0890 0.1974 0.0000
N2 0.0000 0.5778 0.0000   -0.1996 -0.5423 0.0000
O3 1.1655 0.2167 0.0000   -1.1686 0.1993 0.0000
H4 -0.4267 -1.5157 0.0000   0.9241 1.2749 0.0000
H5 -1.5875 -0.4470 0.8817   1.6441 -0.1290 0.8817
H6 -1.5875 -0.4470 -0.8817   1.6441 -0.1290 -0.8817
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4859 2.2576 1.0900 1.0919 1.0919
N2 1.4859 1.2202 2.1366 2.0851 2.0851
O3 2.2576 1.2202 2.3530 2.9659 2.9659
H4 1.0900 2.1366 2.3530 1.8075 1.8075
H5 1.0919 2.0851 2.9659 1.8075 1.7635
H6 1.0919 2.0851 2.9659 1.8075 1.7635
Maximum atom distance is 2.9659Å between atoms O3 and H5.
picture of nitrosomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 O3 112.717
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.157 N2 C1 H5 106.983
N2 C1 H6 106.983 H4 C1 H5 111.867
H4 C1 H6 111.867 H5 C1 H6 107.713

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