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Geometry for CH3ONO (Methyl nitrite) 1A' CS cis

1910171554
InChI=1S/CH3NO2/c1-4-2-3/h1H3 INChIKey=BLLFVUPNHCTMSV-UHFFFAOYSA-N

HF/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3157 0.3076 0.0000   -1.2712 0.4581 0.0000
O2 0.0000 0.8383 0.0000   -0.4563 -0.7033 0.0000
H3 1.9568 1.1728 0.0000   -2.2799 0.0811 0.0000
H4 1.4887 -0.2901 0.8823   -1.0910 1.0536 0.8823
H5 1.4887 -0.2901 -0.8823   -1.0910 1.0536 -0.8823
N6 -1.0105 -0.0149 0.0000   0.8558 -0.5374 0.0000
O7 -0.7194 -1.1300 0.0000   1.2185 0.5564 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 N6 O7
C1 1.4187 1.0768 1.0796 1.0796 2.3484 2.4916
O2 1.4187 1.9852 2.0659 2.0659 1.3225 2.0957
H3 1.0768 1.9852 1.7713 1.7713 3.1961 3.5306
H4 1.0796 2.0659 1.7713 1.7647 2.6646 2.5218
H5 1.0796 2.0659 1.7713 1.7647 2.6646 2.5218
N6 2.3484 1.3225 3.1961 2.6646 2.6646 1.1524
O7 2.4916 2.0957 3.5306 2.5218 2.5218 1.1524
Maximum atom distance is 3.5306Å between atoms H3 and O7.
picture of Methyl nitrite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 N6 117.853 O2 N6 O7 115.549
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H3 104.568 O2 C1 H4 110.835
O2 C1 H5 110.835 H3 C1 H4 110.449
H3 C1 H5 110.449 H4 C1 H5 109.623

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