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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

MP2/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.4361 1.7307 0.0000   1.2227 1.3002 0.0000
O2 -0.4361 -1.7307 0.0000   -1.2227 -1.3002 0.0000
C3 0.2805 -2.9489 0.0000   -2.6350 -1.3533 0.0000
C4 -0.2805 2.9489 0.0000   2.6350 1.3533 0.0000
C5 -0.4361 0.6174 0.0000   0.7552 -0.0345 0.0000
C6 0.4361 -0.6174 0.0000   -0.7552 0.0345 0.0000
H7 0.4599 3.7496 0.0000   2.9103 2.4085 0.0000
H8 -0.4599 -3.7496 0.0000   -2.9103 -2.4085 0.0000
H9 0.9158 -3.0429 0.8920   -3.0566 -0.8688 0.8920
H10 0.9158 -3.0429 -0.8920   -3.0566 -0.8688 -0.8920
H11 -0.9158 3.0429 0.8920   3.0566 0.8688 0.8920
H12 -0.9158 3.0429 -0.8920   3.0566 0.8688 -0.8920
H13 -1.0841 0.6145 0.8897   1.1020 -0.5819 0.8897
H14 -1.0841 0.6145 -0.8897   1.1020 -0.5819 -0.8897
H15 1.0841 -0.6145 0.8897   -1.1020 0.5819 0.8897
H16 1.0841 -0.6145 -0.8897   -1.1020 0.5819 -0.8897
Atom - Atom Distances (Å)
  O1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
O1 3.5696 4.6822 1.4134 1.4143 2.3482 2.0190 5.5530 4.8798 4.8798 2.0845 2.0845 2.0853 2.0853 2.5907 2.5907
O2 3.5696 1.4134 4.6822 2.3482 1.4143 5.5530 2.0190 2.0845 2.0845 4.8798 4.8798 2.5907 2.5907 2.0853 2.0853
C3 4.6822 1.4134 5.9245 3.6377 2.3367 6.7009 1.0905 1.0992 1.0992 6.1748 6.1748 3.9181 3.9181 2.6242 2.6242
C4 1.4134 4.6822 5.9245 2.3367 3.6377 1.0905 6.7009 6.1748 6.1748 1.0992 1.0992 2.6242 2.6242 3.9181 3.9181
C5 1.4143 2.3482 3.6377 2.3367 1.5119 3.2578 4.3671 4.0027 4.0027 2.6284 2.6284 1.1006 1.1006 2.1495 2.1495
C6 2.3482 1.4143 2.3367 3.6377 1.5119 4.3671 3.2578 2.6284 2.6284 4.0027 4.0027 2.1495 2.1495 1.1006 1.1006
H7 2.0190 5.5530 6.7009 1.0905 3.2578 4.3671 7.5553 6.8659 6.8659 1.7855 1.7855 3.6061 3.6061 4.4974 4.4974
H8 5.5530 2.0190 1.0905 6.7009 4.3671 3.2578 7.5553 1.7855 1.7855 6.8659 6.8659 4.4974 4.4974 3.6061 3.6061
H9 4.8798 2.0845 1.0992 6.1748 4.0027 2.6284 6.8659 1.7855 1.7840 6.3554 6.6010 4.1685 4.5333 2.4341 3.0165
H10 4.8798 2.0845 1.0992 6.1748 4.0027 2.6284 6.8659 1.7855 1.7840 6.6010 6.3554 4.5333 4.1685 3.0165 2.4341
H11 2.0845 4.8798 6.1748 1.0992 2.6284 4.0027 1.7855 6.8659 6.3554 6.6010 1.7840 2.4341 3.0165 4.1685 4.5333
H12 2.0845 4.8798 6.1748 1.0992 2.6284 4.0027 1.7855 6.8659 6.6010 6.3554 1.7840 3.0165 2.4341 4.5333 4.1685
H13 2.0853 2.5907 3.9181 2.6242 1.1006 2.1495 3.6061 4.4974 4.1685 4.5333 2.4341 3.0165 1.7793 2.4923 3.0623
H14 2.0853 2.5907 3.9181 2.6242 1.1006 2.1495 3.6061 4.4974 4.5333 4.1685 3.0165 2.4341 1.7793 3.0623 2.4923
H15 2.5907 2.0853 2.6242 3.9181 2.1495 1.1006 4.4974 3.6061 2.4341 3.0165 4.1685 4.5333 2.4923 3.0623 1.7793
H16 2.5907 2.0853 2.6242 3.9181 2.1495 1.1006 4.4974 3.6061 3.0165 2.4341 4.5333 4.1685 3.0623 2.4923 1.7793
Maximum atom distance is 7.5553Å 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 106.686 O2 C6 C5 106.686
C3 O2 C6 111.455 C4 O1 C5 111.455
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C4 H7 106.771 O1 C4 H11 111.514
O1 C4 H12 111.514 O1 C5 H13 111.419
O1 C5 H14 111.419 O2 C3 H8 106.771
O2 C3 H9 111.514 O2 C3 H10 111.514
O2 C6 H15 111.419 O2 C6 H16 111.419
C5 C6 H15 109.724 C5 C6 H16 109.724
C6 C5 H13 109.724 C6 C5 H14 109.724
H7 C4 H11 109.253 H7 C4 H12 109.253
H8 C3 H9 109.253 H8 C3 H10 109.253
H9 C3 H10 108.491 H11 C4 H12 108.491
H13 C5 H14 107.865 H15 C6 H16 107.865

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