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Geometry for NaOCH3 (Sodium methoxide) 1A1 C3V

1910171554
InChI=1S/CH3O.Na/c1-2;/h1H3;/q-1;+1 INChIKey=WQDUMFSSJAZKTM-UHFFFAOYSA-N

B3LYP/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Na1 0.0000 0.0000 1.6663   1.6663 0.0000 0.0000
O2 0.0000 0.0000 -0.2743   -0.2743 0.0000 0.0000
C3 0.0000 0.0000 -1.6449   -1.6449 0.0000 0.0000
H4 0.0000 1.0200 -2.0886   -2.0886 -0.5248 0.8746
H5 0.8833 -0.5100 -2.0886   -2.0886 1.0198 0.0172
H6 -0.8833 -0.5100 -2.0886   -2.0886 -0.4951 -0.8918
Atom - Atom Distances (Å)
  Na1 O2 C3 H4 H5 H6
Na1 1.9406 3.3112 3.8910 3.8910 3.8910
O2 1.9406 1.3706 2.0814 2.0814 2.0814
C3 3.3112 1.3706 1.1123 1.1123 1.1123
H4 3.8910 2.0814 1.1123 1.7666 1.7666
H5 3.8910 2.0814 1.1123 1.7666 1.7666
H6 3.8910 2.0814 1.1123 1.7666 1.7666
Maximum atom distance is 3.8910Å between atoms Na1 and H4.
picture of Sodium methoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Na1 O2 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C3 H4 113.511 O2 C3 H5 113.511
O2 C3 H6 113.511 H4 C3 H5 105.146
H4 C3 H6 105.146 H5 C3 H6 105.146

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