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Geometry for CH3OOH (Methyl peroxide) 1A C1

1910171554
InChI=1S/CH4O2/c1-3-2/h2H,1H3 INChIKey=MEUKEBNAABNAEX-UHFFFAOYSA-N

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Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1269 -0.2161 0.0246   -1.1202 0.2447 0.0488
O2 -0.0281 0.5933 -0.0252   0.0127 -0.5941 -0.0186
O3 -1.1514 -0.2745 -0.0956   1.1552 0.2444 -0.1265
H4 1.9602 0.4903 0.0310   -1.9705 -0.4405 0.0839
H5 1.1510 -0.8293 0.9342   -1.1071 0.8689 0.9512
H6 1.1940 -0.8608 -0.8590   -1.1927 0.8803 -0.8407
H7 -1.6305 -0.0534 0.7130   1.6481 0.0208 0.6730
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4112 2.2822 1.0925 1.0973 1.0958 2.8466
O2 1.4112 1.4212 1.9918 2.0820 2.0743 1.8790
O3 2.2822 1.4212 3.2067 2.5825 2.5353 0.9655
H4 1.0925 1.9918 3.2067 1.7922 1.7900 3.6951
H5 1.0973 2.0820 2.5825 1.7922 1.7940 2.8961
H6 1.0958 2.0743 2.5353 1.7900 1.7940 3.3318
H7 2.8466 1.8790 0.9655 3.6951 2.8961 3.3318
Maximum atom distance is 3.6951Å between atoms H4 and H7.
picture of Methyl peroxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 O3 107.361
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H4 104.692 O2 C1 H5 111.577
O2 C1 H6 111.046 O2 O3 H7 102.172
H4 C1 H5 109.858 H4 C1 H6 109.777
H5 C1 H6 109.778

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