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Geometry for CH3NO (nitrosomethane) 1A' CS

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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9554 -0.5634 0.0000   -1.0967 -0.1655 0.0000
N2 0.0000 0.5809 0.0000   0.2171 0.5388 0.0000
O3 1.1660 0.2170 0.0000   1.1626 -0.2345 0.0000
H4 -0.4193 -1.5176 0.0000   -0.9561 -1.2509 0.0000
H5 -1.5883 -0.4523 0.8881   -1.6422 0.1742 0.8881
H6 -1.5883 -0.4523 -0.8881   -1.6422 0.1742 -0.8881
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4907 2.2604 1.0944 1.0962 1.0962
N2 1.4907 1.2215 2.1400 2.0926 2.0926
O3 2.2604 1.2215 2.3499 2.9703 2.9703
H4 1.0944 2.1400 2.3499 1.8139 1.8139
H5 1.0962 2.0926 2.9703 1.8139 1.7762
H6 1.0962 2.0926 2.9703 1.8139 1.7762
Maximum atom distance is 2.9703Å 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 112.521
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 110.817 N2 C1 H5 106.988
N2 C1 H6 106.988 H4 C1 H5 111.790
H4 C1 H6 111.790 H5 C1 H6 108.223

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