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Geometry for C4H10O2 (Ethane, 1,2-dimethoxy-) 1Ag C2H

1910171554
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3 INChIKey=XTHFKEDIFFGKHM-UHFFFAOYSA-N

B1B95/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.4291 1.7311 0.0000   1.7444 0.3711 0.0000
O2 -0.4291 -1.7311 0.0000   -1.7444 -0.3711 0.0000
C3 0.2701 -2.9437 0.0000   -2.9330 0.3681 0.0000
C4 -0.2701 2.9437 0.0000   2.9330 -0.3681 0.0000
C5 -0.4291 0.6227 0.0000   0.6080 -0.4496 0.0000
C6 0.4291 -0.6227 0.0000   -0.6080 0.4496 0.0000
H7 0.4683 3.7461 0.0000   3.7597 0.3431 0.0000
H8 -0.4683 -3.7461 0.0000   -3.7597 -0.3431 0.0000
H9 0.9069 -3.0455 0.8905   -3.0136 1.0080 0.8905
H10 0.9069 -3.0455 -0.8905   -3.0136 1.0080 -0.8905
H11 -0.9069 3.0455 0.8905   3.0136 -1.0080 0.8905
H12 -0.9069 3.0455 -0.8905   3.0136 -1.0080 -0.8905
H13 -1.0801 0.6228 0.8868   0.5864 -1.1003 0.8868
H14 -1.0801 0.6228 -0.8868   0.5864 -1.1003 -0.8868
H15 1.0801 -0.6228 0.8868   -0.5864 1.1003 0.8868
H16 1.0801 -0.6228 -0.8868   -0.5864 1.1003 -0.8868
Atom - Atom Distances (Å)
  O1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
O1 3.5669 4.6774 1.3997 1.4018 2.3538 2.0154 5.5502 4.8823 4.8823 2.0750 2.0750 2.0718 2.0718 2.5983 2.5983
O2 3.5669 1.3997 4.6774 2.3538 1.4018 5.5502 2.0154 2.0750 2.0750 4.8823 4.8823 2.5983 2.5983 2.0718 2.0718
C3 4.6774 1.3997 5.9121 3.6342 2.3264 6.6927 1.0905 1.0995 1.0995 6.1683 6.1683 3.9152 3.9152 2.6132 2.6132
C4 1.3997 4.6774 5.9121 2.3264 3.6342 1.0905 6.6927 6.1683 6.1683 1.0995 1.0995 2.6132 2.6132 3.9152 3.9152
C5 1.4018 2.3538 3.6342 2.3264 1.5124 3.2498 4.3690 4.0042 4.0042 2.6251 2.6251 1.1001 1.1001 2.1483 2.1483
C6 2.3538 1.4018 2.3264 3.6342 1.5124 4.3690 3.2498 2.6251 2.6251 4.0042 4.0042 2.1483 2.1483 1.1001 1.1001
H7 2.0154 5.5502 6.6927 1.0905 3.2498 4.3690 7.5506 6.8638 6.8638 1.7819 1.7819 3.5971 3.5971 4.4998 4.4998
H8 5.5502 2.0154 1.0905 6.6927 4.3690 3.2498 7.5506 1.7819 1.7819 6.8638 6.8638 4.4998 4.4998 3.5971 3.5971
H9 4.8823 2.0750 1.0995 6.1683 4.0042 2.6251 6.8638 1.7819 1.7809 6.3554 6.6002 4.1719 4.5347 2.4289 3.0097
H10 4.8823 2.0750 1.0995 6.1683 4.0042 2.6251 6.8638 1.7819 1.7809 6.6002 6.3554 4.5347 4.1719 3.0097 2.4289
H11 2.0750 4.8823 6.1683 1.0995 2.6251 4.0042 1.7819 6.8638 6.3554 6.6002 1.7809 2.4289 3.0097 4.1719 4.5347
H12 2.0750 4.8823 6.1683 1.0995 2.6251 4.0042 1.7819 6.8638 6.6002 6.3554 1.7809 3.0097 2.4289 4.5347 4.1719
H13 2.0718 2.5983 3.9152 2.6132 1.1001 2.1483 3.5971 4.4998 4.1719 4.5347 2.4289 3.0097 1.7736 2.4936 3.0600
H14 2.0718 2.5983 3.9152 2.6132 1.1001 2.1483 3.5971 4.4998 4.5347 4.1719 3.0097 2.4289 1.7736 3.0600 2.4936
H15 2.5983 2.0718 2.6132 3.9152 2.1483 1.1001 4.4998 3.5971 2.4289 3.0097 4.1719 4.5347 2.4936 3.0600 1.7736
H16 2.5983 2.0718 2.6132 3.9152 2.1483 1.1001 4.4998 3.5971 3.0097 2.4289 4.5347 4.1719 3.0600 2.4936 1.7736
Maximum atom distance is 7.5506Å between atoms H7 and H8.
picture of Ethane, 1,2-dimethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C5 C6 107.682 O2 C6 C5 107.682
C3 O2 C6 112.285 C4 O1 C5 112.285
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C4 H7 107.414 O1 C4 H11 111.689
O1 C4 H12 111.689 O1 C5 H13 111.235
O1 C5 H14 111.235 O2 C3 H8 107.414
O2 C3 H9 111.689 O2 C3 H10 111.689
O2 C6 H15 111.235 O2 C6 H16 111.235
C5 C6 H15 109.625 C5 C6 H16 109.625
C6 C5 H13 109.625 C6 C5 H14 109.625
H7 C4 H11 108.908 H7 C4 H12 108.908
H8 C3 H9 108.908 H8 C3 H10 108.908
H9 C3 H10 108.169 H11 C4 H12 108.169
H13 C5 H14 107.434 H15 C6 H16 107.434

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