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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

HF/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4311   0.0000 1.4311 0.0000
C2 0.0000 0.0000 0.1015   0.0000 0.1015 0.0000
H3 0.0000 0.9095 1.9904   0.9095 1.9904 0.0000
H4 0.0000 -0.9095 1.9904   -0.9095 1.9904 0.0000
O5 0.0000 1.0891 -0.6991   1.0891 -0.6991 0.0000
O6 0.0000 -1.0891 -0.6991   -1.0891 -0.6991 0.0000
C7 0.0000 2.4099 -0.1496   2.4099 -0.1496 0.0000
C8 0.0000 -2.4099 -0.1496   -2.4099 -0.1496 0.0000
H9 0.0000 3.0711 -0.9976   3.0711 -0.9976 0.0000
H10 0.0000 -3.0711 -0.9976   -3.0711 -0.9976 0.0000
H11 -0.8849 2.5750 0.4498   2.5750 0.4498 -0.8849
H12 0.8849 2.5750 0.4498   2.5750 0.4498 0.8849
H13 0.8849 -2.5750 0.4498   -2.5750 0.4498 0.8849
H14 -0.8849 -2.5750 0.4498   -2.5750 0.4498 -0.8849
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6 C7 C8 H9 H10 H11 H12 H13 H14
C1 1.3296 1.0677 1.0677 2.3925 2.3925 2.8820 2.8820 3.9154 3.9154 2.8942 2.8942 2.8942 2.8942
C2 1.3296 2.0964 2.0964 1.3517 1.3517 2.4229 2.4229 3.2618 3.2618 2.7450 2.7450 2.7450 2.7450
H3 1.0677 2.0964 1.8190 2.6955 3.3508 2.6135 3.9494 3.6879 4.9773 2.4352 2.4352 3.9113 3.9113
H4 1.0677 2.0964 1.8190 3.3508 2.6955 3.9494 2.6135 4.9773 3.6879 3.9113 3.9113 2.4352 2.4352
O5 2.3925 1.3517 2.6955 3.3508 2.1781 1.4306 3.5419 2.0044 4.1708 2.0763 2.0763 3.9406 3.9406
O6 2.3925 1.3517 3.3508 2.6955 2.1781 3.5419 1.4306 4.1708 2.0044 3.9406 3.9406 2.0763 2.0763
C7 2.8820 2.4229 2.6135 3.9494 1.4306 3.5419 4.8198 1.0753 5.5462 1.0814 1.0814 5.0982 5.0982
C8 2.8820 2.4229 3.9494 2.6135 3.5419 1.4306 4.8198 5.5462 1.0753 5.0982 5.0982 1.0814 1.0814
H9 3.9154 3.2618 3.6879 4.9773 2.0044 4.1708 1.0753 5.5462 6.1421 1.7675 1.7675 5.8954 5.8954
H10 3.9154 3.2618 4.9773 3.6879 4.1708 2.0044 5.5462 1.0753 6.1421 5.8954 5.8954 1.7675 1.7675
H11 2.8942 2.7450 2.4352 3.9113 2.0763 3.9406 1.0814 5.0982 1.7675 5.8954 1.7697 5.4455 5.1500
H12 2.8942 2.7450 2.4352 3.9113 2.0763 3.9406 1.0814 5.0982 1.7675 5.8954 1.7697 5.1500 5.4455
H13 2.8942 2.7450 3.9113 2.4352 3.9406 2.0763 5.0982 1.0814 5.8954 1.7675 5.4455 5.1500 1.7697
H14 2.8942 2.7450 3.9113 2.4352 3.9406 2.0763 5.0982 1.0814 5.8954 1.7675 5.1500 5.4455 1.7697
Maximum atom distance is 6.1421Å 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
C1 C2 O5 126.321 C1 C2 O6 126.321
C2 O5 C7 121.089 C2 O6 C8 121.089
O5 C2 O6 107.359
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 121.587 C2 C1 H4 121.587
H3 C1 H4 116.825 O5 C7 H9 105.350
O5 C7 H11 110.722 O5 C7 H12 110.722
O6 C8 H10 105.350 O6 C8 H13 110.722
O6 C8 H14 110.722 H9 C7 H11 110.074
H9 C7 H12 110.074 H10 C8 H13 110.074
H10 C8 H14 110.074 H11 C7 H12 109.820
H13 C8 H14 109.820

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