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Geometry for CH3OOCH3 (dimethylperoxide) 1Ag C2H

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

LSDA/6-311G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.4347 0.5818 0.0000   0.6527 -0.3185 0.0000
O2 0.4347 -0.5818 0.0000   -0.6527 0.3185 0.0000
C3 0.4347 1.6656 0.0000   1.5553 0.7377 0.0000
C4 -0.4347 -1.6656 0.0000   -1.5553 -0.7377 0.0000
H5 -0.2198 2.5506 0.0000   2.5468 0.2598 0.0000
H6 1.0731 1.6776 0.9035   1.4480 1.3672 0.9035
H7 1.0731 1.6776 -0.9035   1.4480 1.3672 -0.9035
H8 0.2198 -2.5506 0.0000   -2.5468 -0.2598 0.0000
H9 -1.0731 -1.6776 0.9035   -1.4480 -1.3672 0.9035
H10 -1.0731 -1.6776 -0.9035   -1.4480 -1.3672 -0.9035
Atom - Atom Distances (Å)
  O1 O2 C3 C4 H5 H6 H7 H8 H9 H10
O1 1.4525 1.3893 2.2474 1.9804 2.0713 2.0713 3.2000 2.5157 2.5157
O2 1.4525 2.2474 1.3893 3.2000 2.5157 2.5157 1.9804 2.0713 2.0713
C3 1.3893 2.2474 3.4427 1.1007 1.1064 1.1064 4.2216 3.7771 3.7771
C4 2.2474 1.3893 3.4427 4.2216 3.7771 3.7771 1.1007 1.1064 1.1064
H5 1.9804 3.2000 1.1007 4.2216 1.8028 1.8028 5.1201 4.4070 4.4070
H6 2.0713 2.5157 1.1064 3.7771 1.8028 1.8070 4.4070 3.9829 4.3737
H7 2.0713 2.5157 1.1064 3.7771 1.8028 1.8070 4.4070 4.3737 3.9829
H8 3.2000 1.9804 4.2216 1.1007 5.1201 4.4070 4.4070 1.8028 1.8028
H9 2.5157 2.0713 3.7771 1.1064 4.4070 3.9829 4.3737 1.8028 1.8070
H10 2.5157 2.0713 3.7771 1.1064 4.4070 4.3737 3.9829 1.8028 1.8070
Maximum atom distance is 5.1201Å 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 104.502 O2 O1 C3 104.502
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H5 104.781 O1 C3 H6 111.688
O1 C3 H7 111.688 O2 C4 H8 104.781
O2 C4 H9 111.688 O2 C4 H10 111.688
H5 C3 H6 109.533 H5 C3 H7 109.533
H6 C3 H7 109.500 H8 C4 H9 109.533
H8 C4 H10 109.533 H9 C4 H10 109.500

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