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Geometry for C3H8O2 (Methane, dimethoxy-) 1A C2

1910171554
InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 INChIKey=NKDDWNXOKDWJAK-UHFFFAOYSA-N

HF/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9285   0.0000 0.9285 0.0000
H2 -0.7101 0.5330 1.5513   0.4069 1.5513 -0.7891
H3 0.7101 -0.5330 1.5513   -0.4069 1.5513 0.7891
O4 0.7478 0.8805 0.1713   0.9931 0.1713 0.5902
O5 -0.7478 -0.8805 0.1713   -0.9931 0.1713 -0.5902
C6 0.0000 1.8044 -0.5688   1.7790 -0.5688 -0.3014
C7 0.0000 -1.8044 -0.5688   -1.7790 -0.5688 0.3014
H8 0.7031 2.4562 -1.0678   2.5391 -1.0678 0.2830
H9 -0.7031 -2.4562 -1.0678   -2.5391 -1.0678 -0.2830
H10 -0.6220 1.3138 -1.3084   1.1915 -1.3084 -0.8327
H11 -0.6350 2.4013 0.0820   2.2615 0.0820 -1.0272
H12 0.6220 -1.3138 -1.3084   -1.1915 -1.3084 0.8327
H13 0.6350 -2.4013 0.0820   -2.2615 0.0820 1.0272
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5 C6 C7 H8 H9 H10 H11 H12 H13
C1 1.0845 1.0845 1.3813 1.3813 2.3447 2.3447 3.2423 3.2423 2.6677 2.6241 2.6677 2.6241
H2 1.0845 1.7757 2.0373 1.9758 2.5720 3.2345 3.5433 3.9743 2.9656 2.3780 3.6555 3.5465
H3 1.0845 1.7757 1.9758 2.0373 3.2345 2.5720 3.9743 3.5433 3.6555 3.5465 2.9656 2.3780
O4 1.3813 2.0373 1.9758 2.3104 1.4001 2.8837 2.0050 3.8437 2.0623 2.0574 2.6496 3.2850
O5 1.3813 1.9758 2.0373 2.3104 2.8837 1.4001 3.8437 2.0050 2.6496 3.2850 2.0623 2.0574
C6 2.3447 2.5720 3.2345 1.4001 2.8837 3.6088 1.0809 4.3469 1.0837 1.0877 3.2645 4.3029
C7 2.3447 3.2345 2.5720 2.8837 1.4001 3.6088 4.3469 1.0809 3.2645 4.3029 1.0837 1.0877
H8 3.2423 3.5433 3.9743 2.0050 3.8437 1.0809 4.3469 5.1097 1.7660 1.7651 3.7786 4.9922
H9 3.2423 3.9743 3.5433 3.8437 2.0050 4.3469 1.0809 5.1097 3.7786 4.9922 1.7660 1.7651
H10 2.6677 2.9656 3.6555 2.0623 2.6496 1.0837 3.2645 1.7660 3.7786 1.7652 2.9072 4.1612
H11 2.6241 2.3780 3.5465 2.0574 3.2850 1.0877 4.3029 1.7651 4.9922 1.7652 4.1612 4.9677
H12 2.6677 3.6555 2.9656 2.6496 2.0623 3.2645 1.0837 3.7786 1.7660 2.9072 4.1612 1.7652
H13 2.6241 3.5465 2.3780 3.2850 2.0574 4.3029 1.0877 4.9922 1.7651 4.1612 4.9677 1.7652
Maximum atom distance is 5.1097Å between atoms H8 and H9.
picture of Methane, dimethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 C6 114.913 C1 O5 C7 114.913
O4 C1 O5 113.512
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 109.906 H2 C1 O4 110.853
H2 C1 O5 105.881 H3 C1 O4 105.881
H3 C1 O5 110.853 O4 C6 H8 107.127
O4 C6 H10 111.626 O4 C6 H11 110.956
O5 C7 H9 107.127 O5 C7 H12 111.626
O5 C7 H13 110.956 H8 C6 H10 109.345
H8 C6 H11 108.970 H9 C7 H12 109.345
H9 C7 H13 108.970 H10 C6 H11 108.765
H12 C7 H13 108.765

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