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Geometry for CH3NO (nitrosomethane) 1A' CS

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

B3PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9412 -0.5730 0.0000   -1.0900 -0.1614 0.0000
N2 0.0000 0.5699 0.0000   0.2218 0.5249 0.0000
O3 1.1532 0.2372 0.0000   1.1546 -0.2304 0.0000
H4 -0.4139 -1.5307 0.0000   -0.9771 -1.2489 0.0000
H5 -1.5822 -0.4590 0.8811   -1.6361 0.1931 0.8811
H6 -1.5822 -0.4590 -0.8811   -1.6361 0.1931 -0.8811
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4805 2.2457 1.0933 1.0956 1.0956
N2 1.4805 1.2002 2.1410 2.0829 2.0829
O3 2.2457 1.2002 2.3625 2.9570 2.9570
H4 1.0933 2.1410 2.3625 1.8138 1.8138
H5 1.0956 2.0829 2.9570 1.8138 1.7623
H6 1.0956 2.0829 2.9570 1.8138 1.7623
Maximum atom distance is 2.9570Å 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 113.381
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.691 N2 C1 H5 106.955
N2 C1 H6 106.955 H4 C1 H5 111.922
H4 C1 H6 111.922 H5 C1 H6 107.078

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