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Geometry for CH3NO (nitrosomethane) 1A' CS

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

HSEh1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9421 -0.5663 0.0000   -1.0871 -0.1624 0.0000
N2 0.0000 0.5704 0.0000   0.2184 0.5269 0.0000
O3 1.1540 0.2292 0.0000   1.1539 -0.2301 0.0000
H4 -0.4157 -1.5249 0.0000   -0.9679 -1.2495 0.0000
H5 -1.5820 -0.4520 0.8822   -1.6345 0.1882 0.8822
H6 -1.5820 -0.4520 -0.8822   -1.6345 0.1882 -0.8822
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4763 2.2420 1.0937 1.0958 1.0958
N2 1.4763 1.2034 2.1361 2.0800 2.0800
O3 2.2420 1.2034 2.3539 2.9543 2.9543
H4 1.0937 2.1361 2.3539 1.8138 1.8138
H5 1.0958 2.0800 2.9543 1.8138 1.7644
H6 1.0958 2.0800 2.9543 1.8138 1.7644
Maximum atom distance is 2.9543Å 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 113.187
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.572 N2 C1 H5 106.999
N2 C1 H6 106.999 H4 C1 H5 111.867
H4 C1 H6 111.867 H5 C1 H6 107.238

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