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Geometry for CH3OOCH3 (dimethylperoxide) 1A C2

1910171554
InChI=1S/C2H6O2/c1-3-4-2/h1-2H3 INChIKey=SRXOCFMDUSFFAK-UHFFFAOYSA-N

BLYP/STO-3G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.4049 0.6328 -0.4913   0.5605 -0.5003 -0.4913
O2 -0.4049 -0.6328 -0.4913   -0.5605 0.5003 -0.4913
C3 -0.4049 1.5700 0.3663   1.6144 0.1505 0.3663
C4 0.4049 -1.5700 0.3663   -1.6144 -0.1505 0.3663
H5 0.1563 2.5335 0.3661   2.4765 -0.5565 0.3661
H6 -1.4283 1.7412 -0.0528   1.9459 1.1337 -0.0528
H7 -0.5035 1.2036 1.4196   1.2682 0.3060 1.4196
H8 -0.1563 -2.5335 0.3661   -2.4765 0.5565 0.3661
H9 1.4283 -1.7412 -0.0528   -1.9459 -1.1337 -0.0528
H10 0.5035 -1.2036 1.4196   -1.2682 -0.3060 1.4196
Atom - Atom Distances (Å)
  O1 O2 C3 C4 H5 H6 H7 H8 H9 H10
O1 1.5026 1.5065 2.3639 2.0999 2.1866 2.1914 3.3280 2.6221 2.6521
O2 1.5026 2.3639 1.5065 3.3280 2.6221 2.6521 2.0999 2.1866 2.1914
C3 1.5065 2.3639 3.2428 1.1150 1.1190 1.1196 4.1110 3.8079 3.1028
C4 2.3639 1.5065 3.2428 4.1110 3.8079 3.1028 1.1150 1.1190 1.1196
H5 2.0999 3.3280 1.1150 4.1110 1.8205 1.8204 5.0766 4.4795 3.8982
H6 2.1866 2.6221 1.1190 3.8079 1.8205 1.8200 4.4795 4.5041 3.8172
H7 2.1914 2.6521 1.1196 3.1028 1.8204 1.8200 3.8982 3.8172 2.6093
H8 3.3280 2.0999 4.1110 1.1150 5.0766 4.4795 3.8982 1.8205 1.8204
H9 2.6221 2.1866 3.8079 1.1190 4.4795 4.5041 3.8172 1.8205 1.8200
H10 2.6521 2.1914 3.1028 1.1196 3.8982 3.8172 2.6093 1.8204 1.8200
Maximum atom distance is 5.0766Å between atoms H5 and H8.
picture of dimethylperoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 O2 C4 103.549 O2 O1 C3 103.549
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H5 105.480 O1 C3 H6 111.937
O1 C3 H7 112.288 O2 C4 H8 105.480
O2 C4 H9 111.937 O2 C4 H10 112.288
H5 C3 H6 109.152 H5 C3 H7 109.100
H6 C3 H7 108.778 H8 C4 H9 109.152
H8 C4 H10 109.100 H9 C4 H10 108.778

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