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Geometry for CH3NO (nitrosomethane) 1A' CS

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

HSEh1PBE/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9375 -0.5699 0.0000   1.0847 0.1646 0.0000
N2 0.0000 0.5609 0.0000   -0.2161 -0.5176 0.0000
O3 1.1494 0.2401 0.0000   -1.1531 0.2213 0.0000
H4 -0.4180 -1.5286 0.0000   0.9747 1.2495 0.0000
H5 -1.5758 -0.4497 0.8784   1.6274 -0.1922 0.8784
H6 -1.5758 -0.4497 -0.8784   1.6274 -0.1922 -0.8784
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4689 2.2386 1.0904 1.0925 1.0925
N2 1.4689 1.1933 2.1309 2.0679 2.0679
O3 2.2386 1.1933 2.3632 2.9452 2.9452
H4 1.0904 2.1309 2.3632 1.8100 1.8100
H5 1.0925 2.0679 2.9452 1.8100 1.7568
H6 1.0925 2.0679 2.9452 1.8100 1.7568
Maximum atom distance is 2.9452Å 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 114.069
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.883 N2 C1 H5 106.752
N2 C1 H6 106.752 H4 C1 H5 112.032
H4 C1 H6 112.032 H5 C1 H6 107.039

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