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Geometry for C4H10O2 (1,1-Dimethoxyethane) 1A' CS

1910171554
InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3 INChIKey=SPEUIVXLLWOEMJ-UHFFFAOYSA-N

HF/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.2897 0.1544 1.1925   -0.0631 -1.2008 0.2897
O2 0.2897 0.1544 -1.1925   -0.2447 1.1773 0.2897
C3 0.2897 -1.1980 1.6797   1.3224 -1.5836 0.2897
C4 0.2897 -1.1980 -1.6797   1.0666 1.7660 0.2897
C5 -0.4251 0.4850 0.0000   -0.4835 -0.0369 -0.4251
C6 -0.6230 1.9959 0.0000   -1.9901 -0.1520 -0.6230
H7 -0.6913 -1.6622 1.5534   1.7757 -1.4223 -0.6913
H8 -0.6913 -1.6622 -1.5534   1.5391 1.6755 -0.6913
H9 0.5261 -1.1446 2.7355   1.3496 -2.6404 0.5261
H10 0.5261 -1.1446 -2.7355   0.9330 2.8148 0.5261
H11 1.0444 -1.7970 1.1747   1.8812 -1.0345 1.0444
H12 1.0444 -1.7970 -1.1747   1.7023 1.3082 1.0444
H13 -1.3744 -0.0617 0.0000   0.0615 0.0047 -1.3744
H14 0.3522 2.4752 0.0000   -2.4680 -0.1885 0.3522
H15 -1.1686 2.3013 -0.8901   -2.3624 0.7123 -1.1686
H16 -1.1686 2.3013 0.8901   -2.2268 -1.0628 -1.1686
Atom - Atom Distances (Å)
  O1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.3851 1.4374 3.1747 1.4291 2.3762 2.0958 3.4355 2.0308 4.1441 2.0923 3.1593 2.0587 2.6101 3.3276 2.6129
O2 2.3851 3.1747 1.4374 1.4291 2.3762 3.4355 2.0958 4.1441 2.0308 3.1593 2.0923 2.0587 2.6101 2.6129 3.3276
C3 1.4374 3.1747 3.3594 2.4829 3.7223 1.0926 3.4104 1.0833 4.4219 1.0878 3.0127 2.6233 4.0395 4.5798 3.8723
C4 3.1747 1.4374 3.3594 2.4829 3.7223 3.4104 1.0926 4.4219 1.0833 3.0127 1.0878 2.6233 4.0395 3.8723 4.5798
C5 1.4291 1.4291 2.4829 2.4829 1.5238 2.6635 2.6635 3.3232 3.3232 2.9575 2.9575 1.0954 2.1367 2.1550 2.1550
C6 2.3762 2.3762 3.7223 3.7223 1.5238 3.9749 3.9749 4.3205 4.3205 4.3065 4.3065 2.1905 1.0866 1.0877 1.0877
H7 2.0958 3.4355 1.0926 3.4104 2.6635 3.9749 3.1069 1.7741 4.4884 1.7816 3.2363 2.3327 4.5410 4.6806 4.0469
H8 3.4355 2.0958 3.4104 1.0926 2.6635 3.9749 3.1069 4.4884 1.7741 3.2363 1.7816 2.3327 4.5410 4.0469 4.6806
H9 2.0308 4.1441 1.0833 4.4219 3.3232 4.3205 1.7741 4.4884 5.4711 1.7693 3.9980 3.5026 4.5406 5.2812 4.2605
H10 4.1441 2.0308 4.4219 1.0833 3.3232 4.3205 4.4884 1.7741 5.4711 3.9980 1.7693 3.5026 4.5406 4.2605 5.2812
H11 2.0923 3.1593 1.0878 3.0127 2.9575 4.3065 1.7816 3.2363 1.7693 3.9980 2.3494 3.2003 4.4845 5.0947 4.6662
H12 3.1593 2.0923 3.0127 1.0878 2.9575 4.3065 3.2363 1.7816 3.9980 1.7693 2.3494 3.2003 4.4845 4.6662 5.0947
H13 2.0587 2.0587 2.6233 2.6233 1.0954 2.1905 2.3327 2.3327 3.5026 3.5026 3.2003 3.2003 3.0687 2.5334 2.5334
H14 2.6101 2.6101 4.0395 4.0395 2.1367 1.0866 4.5410 4.5410 4.5406 4.5406 4.4845 4.4845 3.0687 1.7707 1.7707
H15 3.3276 2.6129 4.5798 3.8723 2.1550 1.0877 4.6806 4.0469 5.2812 4.2605 5.0947 4.6662 2.5334 1.7707 1.7802
H16 2.6129 3.3276 3.8723 4.5798 2.1550 1.0877 4.0469 4.6806 4.2605 5.2812 4.6662 5.0947 2.5334 1.7707 1.7802
Maximum atom distance is 5.4711Å between atoms H9 and H10.
picture of 1,1-Dimethoxyethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C5 O2 113.120 O1 C5 C6 107.117
O2 C5 C6 107.117 C3 O1 C5 120.030
C4 O2 C5 120.030
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H7 111.138 O1 C3 H9 106.499
O1 C3 H11 111.145 O1 C5 H13 108.542
O2 C4 H8 111.138 O2 C4 H10 106.499
O2 C4 H12 111.145 O2 C5 H13 108.542
C5 C6 H14 108.714 C5 C6 H15 110.089
C5 C6 H16 110.089 C6 C5 H13 112.473
H7 C3 H9 109.239 H7 C3 H11 109.588
H8 C4 H10 109.239 H8 C4 H12 109.588
H9 C3 H11 109.156 H10 C4 H12 109.156
H14 C6 H15 109.046 H14 C6 H16 109.046
H15 C6 H16 109.828

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