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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

B3PW91/6-311G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9149   0.9014 0.1567 0.0000
H2 -0.7161 0.5475 1.5415   1.3961 0.9695 0.5475
H3 0.7161 -0.5475 1.5415   1.6414 -0.4415 -0.5475
O4 0.7744 0.8795 0.1525   0.2829 -0.7368 0.8795
O5 -0.7744 -0.8795 0.1525   0.0177 0.7891 -0.8795
C6 0.0000 1.8346 -0.5497   -0.5415 -0.0941 1.8346
C7 0.0000 -1.8346 -0.5497   -0.5415 -0.0941 -1.8346
H8 0.6956 2.4544 -1.1161   -0.9805 -0.8764 2.4544
H9 -0.6956 -2.4544 -1.1161   -1.2187 0.4942 -2.4544
H10 -0.7043 1.3553 -1.2378   -1.3401 0.4819 1.3553
H11 -0.5637 2.4732 0.1454   0.0467 0.5802 2.4732
H12 0.7043 -1.3553 -1.2378   -1.0989 -0.9058 -1.3553
H13 0.5637 -2.4732 0.1454   0.2398 -0.5304 -2.4732
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5 C6 C7 H8 H9 H10 H11 H12 H13
C1 1.0978 1.0978 1.3980 1.3980 2.3475 2.3475 3.2608 3.2608 2.6396 2.6508 2.6396 2.6508
H2 1.0978 1.8029 2.0642 1.9923 2.5578 3.2497 3.5626 4.0094 2.8944 2.3834 3.6556 3.5654
H3 1.0978 1.8029 1.9923 2.0642 3.2497 2.5578 4.0094 3.5626 3.6556 3.5654 2.8944 2.3834
O4 1.3980 2.0642 1.9923 2.3437 1.4160 2.9085 2.0238 3.8582 2.0847 2.0809 2.6330 3.3594
O5 1.3980 1.9923 2.0642 2.3437 2.9085 1.4160 3.8582 2.0238 2.6330 3.3594 2.0847 2.0809
C6 2.3475 2.5578 3.2497 1.4160 2.9085 3.6693 1.0903 4.3819 1.0951 1.0994 3.3385 4.3998
C7 2.3475 3.2497 2.5578 2.9085 1.4160 3.6693 4.3819 1.0903 3.3385 4.3998 1.0951 1.0994
H8 3.2608 3.5626 4.0094 2.0238 3.8582 1.0903 4.3819 5.1021 1.7839 1.7825 3.8117 5.0883
H9 3.2608 4.0094 3.5626 3.8582 2.0238 4.3819 1.0903 5.1021 3.8117 5.0883 1.7839 1.7825
H10 2.6396 2.8944 3.6556 2.0847 2.6330 1.0951 3.3385 1.7839 3.8117 1.7840 3.0548 4.2636
H11 2.6508 2.3834 3.5654 2.0809 3.3594 1.0994 4.3998 1.7825 5.0883 1.7840 4.2636 5.0733
H12 2.6396 3.6556 2.8944 2.6330 2.0847 3.3385 1.0951 3.8117 1.7839 3.0548 4.2636 1.7840
H13 2.6508 3.5654 2.3834 3.3594 2.0809 4.3998 1.0994 5.0883 1.7825 4.2636 5.0733 1.7840
Maximum atom distance is 5.1021Å 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 113.071 C1 O5 C7 113.071
O4 C1 O5 113.905
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 110.394 H2 C1 O4 111.026
H2 C1 O5 105.291 H3 C1 O4 105.291
H3 C1 O5 111.026 O4 C6 H8 106.988
O4 C6 H10 111.598 O4 C6 H11 111.018
O5 C7 H9 106.988 O5 C7 H12 111.598
O5 C7 H13 111.018 H8 C6 H10 109.425
H8 C6 H11 108.988 H9 C7 H12 109.425
H9 C7 H13 108.988 H10 C6 H11 108.773
H12 C7 H13 108.773

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