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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 1.4153   0.0000 1.4153 0.0000
C2 0.0000 0.0000 0.0864   0.0000 0.0864 0.0000
H3 0.0000 0.9138 1.9708   0.9138 1.9708 0.0000
H4 0.0000 -0.9138 1.9708   -0.9138 1.9708 0.0000
O5 0.0000 1.0681 -0.7080   1.0681 -0.7080 0.0000
O6 0.0000 -1.0681 -0.7080   -1.0681 -0.7080 0.0000
C7 0.0000 2.3464 -0.1336   2.3464 -0.1336 0.0000
C8 0.0000 -2.3464 -0.1336   -2.3464 -0.1336 0.0000
H9 0.0000 3.0448 -0.9570   3.0448 -0.9570 0.0000
H10 0.0000 -3.0448 -0.9570   -3.0448 -0.9570 0.0000
H11 -0.8851 2.5025 0.4733   2.5025 0.4733 -0.8851
H12 0.8851 2.5025 0.4733   2.5025 0.4733 0.8851
H13 0.8851 -2.5025 0.4733   -2.5025 0.4733 0.8851
H14 -0.8851 -2.5025 0.4733   -2.5025 0.4733 -0.8851
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6 C7 C8 H9 H10 H11 H12 H13 H14
C1 1.3289 1.0694 1.0694 2.3768 2.3768 2.8115 2.8115 3.8599 3.8599 2.8166 2.8166 2.8166 2.8166
C2 1.3289 2.0942 2.0942 1.3311 1.3311 2.3567 2.3567 3.2186 3.2186 2.6825 2.6825 2.6825 2.6825
H3 1.0694 2.0942 1.8276 2.6832 3.3322 2.5457 3.8803 3.6212 4.9236 2.3558 2.3558 3.8336 3.8336
H4 1.0694 2.0942 1.8276 3.3322 2.6832 3.8803 2.5457 4.9236 3.6212 3.8336 3.8336 2.3558 2.3558
O5 2.3768 1.3311 2.6832 3.3322 2.1362 1.4014 3.4624 1.9923 4.1204 2.0582 2.0582 3.8637 3.8637
O6 2.3768 1.3311 3.3322 2.6832 2.1362 3.4624 1.4014 4.1204 1.9923 3.8637 3.8637 2.0582 2.0582
C7 2.8115 2.3567 2.5457 3.8803 1.4014 3.4624 4.6927 1.0797 5.4537 1.0845 1.0845 4.9662 4.9662
C8 2.8115 2.3567 3.8803 2.5457 3.4624 1.4014 4.6927 5.4537 1.0797 4.9662 4.9662 1.0845 1.0845
H9 3.8599 3.2186 3.6212 4.9236 1.9923 4.1204 1.0797 5.4537 6.0896 1.7673 1.7673 5.7967 5.7967
H10 3.8599 3.2186 4.9236 3.6212 4.1204 1.9923 5.4537 1.0797 6.0896 5.7967 5.7967 1.7673 1.7673
H11 2.8166 2.6825 2.3558 3.8336 2.0582 3.8637 1.0845 4.9662 1.7673 5.7967 1.7703 5.3088 5.0050
H12 2.8166 2.6825 2.3558 3.8336 2.0582 3.8637 1.0845 4.9662 1.7673 5.7967 1.7703 5.0050 5.3088
H13 2.8166 2.6825 3.8336 2.3558 3.8637 2.0582 4.9662 1.0845 5.7967 1.7673 5.3088 5.0050 1.7703
H14 2.8166 2.6825 3.8336 2.3558 3.8637 2.0582 4.9662 1.0845 5.7967 1.7673 5.0050 5.3088 1.7703
Maximum atom distance is 6.0896Å 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 126.638 C1 C2 O6 126.638
C2 O5 C7 119.167 C2 O6 C8 119.167
O5 C2 O6 106.724
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 121.294 C2 C1 H4 121.294
H3 C1 H4 117.413 O5 C7 H9 106.111
O5 C7 H11 111.141 O5 C7 H12 111.141
O6 C8 H10 106.111 O6 C8 H13 111.141
O6 C8 H14 111.141 H9 C7 H11 109.490
H9 C7 H12 109.490 H10 C8 H13 109.490
H10 C8 H14 109.490 H11 C7 H12 109.402
H13 C8 H14 109.402

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