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Geometry for C4H8O2 (Ethene, 1,1-dimethoxy-) 1A1 C2V

1910171554
InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3 INChIKey=FJTRNRFAIZEJJJ-UHFFFAOYSA-N

G2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 1.4160
C2 0.0000 0.0000 0.0710
H3 0.0000 0.9203 1.9781
H4 0.0000 -0.9203 1.9781
O5 0.0000 1.0809 -0.7461
O6 0.0000 -1.0809 -0.7461
C7 0.0000 2.3494 -0.1004
C8 0.0000 -2.3494 -0.1004
H9 0.0000 3.0829 -0.9046
H10 0.0000 -3.0829 -0.9046
H11 -0.8938 2.4740 0.5185
H12 0.8938 2.4740 0.5185
H13 0.8938 -2.4740 0.5185
H14 -0.8938 -2.4740 0.5185
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6 C7 C8 H9 H10 H11 H12 H13 H14
C1 1.3450 1.0784 1.0784 2.4172 2.4172 2.7963 2.7963 3.8587 3.8587 2.7793 2.7793 2.7793 2.7793
C2 1.3450 2.1176 2.1176 1.3550 1.3550 2.3557 2.3557 3.2336 3.2336 2.6682 2.6682 2.6682 2.6682
H3 1.0784 2.1176 1.8406 2.7289 3.3803 2.5224 3.8745 3.6038 4.9332 2.3115 2.3115 3.8014 3.8014
H4 1.0784 2.1176 1.8406 3.3803 2.7289 3.8745 2.5224 4.9332 3.6038 3.8014 3.8014 2.3115 2.3115
O5 2.4172 1.3550 2.7289 3.3803 2.1617 1.4234 3.4905 2.0083 4.1668 2.0830 2.0830 3.8775 3.8775
O6 2.4172 1.3550 3.3803 2.7289 2.1617 3.4905 1.4234 4.1668 2.0083 3.8775 3.8775 2.0830 2.0830
C7 2.7963 2.3557 2.5224 3.8745 1.4234 3.4905 4.6989 1.0885 5.4916 1.0943 1.0943 4.9444 4.9444
C8 2.7963 2.3557 3.8745 2.5224 3.4905 1.4234 4.6989 5.4916 1.0885 4.9444 4.9444 1.0943 1.0943
H9 3.8587 3.2336 3.6038 4.9332 2.0083 4.1668 1.0885 5.4916 6.1659 1.7875 1.7875 5.8054 5.8054
H10 3.8587 3.2336 4.9332 3.6038 4.1668 2.0083 5.4916 1.0885 6.1659 5.8054 5.8054 1.7875 1.7875
H11 2.7793 2.6682 2.3115 3.8014 2.0830 3.8775 1.0943 4.9444 1.7875 5.8054 1.7875 5.2609 4.9479
H12 2.7793 2.6682 2.3115 3.8014 2.0830 3.8775 1.0943 4.9444 1.7875 5.8054 1.7875 4.9479 5.2609
H13 2.7793 2.6682 3.8014 2.3115 3.8775 2.0830 4.9444 1.0943 5.8054 1.7875 5.2609 4.9479 1.7875
H14 2.7793 2.6682 3.8014 2.3115 3.8775 2.0830 4.9444 1.0943 5.8054 1.7875 4.9479 5.2609 1.7875
Maximum atom distance is 6.1659Å between atoms H9 and H10.
picture of Ethene, 1,1-dimethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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