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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

MP2/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.4928 -0.4907 1.1462   0.3130 -1.2069 -0.4928
O2 -0.4928 -0.4907 -1.1462   0.6572 1.0595 -0.4928
C3 -0.4928 0.3479 2.3553   -0.6977 -2.2763 -0.4928
C4 -0.4928 0.3479 -2.3553   0.0098 2.3808 -0.4928
C5 0.1517 0.1314 0.0000   -0.1299 0.0197 0.1517
C6 1.6552 -0.1487 0.0000   0.1470 -0.0223 1.6552
H7 0.5251 0.5191 2.7354   -0.9240 -2.6264 0.5251
H8 0.5251 0.5191 -2.7354   -0.1024 2.7823 0.5251
H9 -1.0694 -0.2176 3.0905   -0.2490 -3.0881 -1.0694
H10 -1.0694 -0.2176 -3.0905   0.6793 3.0228 -1.0694
H11 -0.9785 1.3168 2.1615   -1.6265 -1.9393 -0.9785
H12 -0.9785 1.3168 -2.1615   -0.9773 2.3348 -0.9785
H13 -0.0639 1.2195 0.0000   -1.2057 0.1831 -0.0639
H14 1.7958 -1.2355 0.0000   1.2214 -0.1855 1.7958
H15 2.1350 0.2798 -0.8905   -0.1429 0.9225 2.1350
H16 2.1350 0.2798 0.8905   -0.4104 -0.8384 2.1350
Atom - Atom Distances (Å)
  O1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.2924 1.4714 3.6005 1.4547 2.4586 2.1404 4.1379 2.0463 4.2845 2.1293 3.8005 2.1029 2.6657 3.4128 2.7503
O2 2.2924 3.6005 1.4714 1.4547 2.4586 4.1379 2.1404 4.2845 2.0463 3.8005 2.1293 2.1029 2.6657 2.7503 3.4128
C3 1.4714 3.6005 4.7105 2.4514 3.2261 1.1000 5.1942 1.0922 5.5053 1.1010 4.6450 2.5477 3.6458 4.1767 3.0092
C4 3.6005 1.4714 4.7105 2.4514 3.2261 5.1942 1.1000 5.5053 1.0922 4.6450 1.1010 2.5477 3.6458 3.0092 4.1767
C5 1.4547 1.4547 2.4514 2.4514 1.5295 2.7878 2.7878 3.3413 3.3413 2.7119 2.7119 1.1093 2.1380 2.1791 2.1791
C6 2.4586 2.4586 3.2261 3.2261 1.5295 3.0340 3.0340 4.1207 4.1207 3.7090 3.7090 2.1971 1.0958 1.0986 1.0986
H7 2.1404 4.1379 1.1000 5.1942 2.7878 3.0340 5.4707 1.7921 6.0849 1.7962 5.1843 2.8844 3.4893 3.9744 2.4601
H8 4.1379 2.1404 5.1942 1.1000 2.7878 3.0340 5.4707 6.0849 1.7921 5.1843 1.7962 2.8844 3.4893 2.4601 3.9744
H9 2.0463 4.2845 1.0922 5.5053 3.3413 4.1207 1.7921 6.0849 6.1810 1.7960 5.4723 3.5535 4.3355 5.1346 3.9186
H10 4.2845 2.0463 5.5053 1.0922 3.3413 4.1207 6.0849 1.7921 6.1810 5.4723 1.7960 3.5535 4.3355 3.9186 5.1346
H11 2.1293 3.8005 1.1010 4.6450 2.7119 3.7090 1.7962 5.1843 1.7960 5.4723 4.3231 2.3491 4.3454 4.4815 3.5191
H12 3.8005 2.1293 4.6450 1.1010 2.7119 3.7090 5.1843 1.7962 5.4723 1.7960 4.3231 2.3491 4.3454 3.5191 4.4815
H13 2.1029 2.1029 2.5477 2.5477 1.1093 2.1971 2.8844 2.8844 3.5535 3.5535 2.3491 2.3491 3.0798 2.5517 2.5517
H14 2.6657 2.6657 3.6458 3.6458 2.1380 1.0958 3.4893 3.4893 4.3355 4.3355 4.3454 4.3454 3.0798 1.7900 1.7900
H15 3.4128 2.7503 4.1767 3.0092 2.1791 1.0986 3.9744 2.4601 5.1346 3.9186 4.4815 3.5191 2.5517 1.7900 1.7811
H16 2.7503 3.4128 3.0092 4.1767 2.1791 1.0986 2.4601 3.9744 3.9186 5.1346 3.5191 4.4815 2.5517 1.7900 1.7811
Maximum atom distance is 6.1810Å 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 103.989 O1 C5 C6 110.929
O2 C5 C6 110.929 C3 O1 C5 113.813
C4 O2 C5 113.813
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H7 111.880 O1 C3 H9 104.956
O1 C3 H11 110.913 O1 C5 H13 109.474
O2 C4 H8 111.880 O2 C4 H10 104.956
O2 C4 H12 110.913 O2 C5 H13 109.474
C5 C6 H14 107.919 C5 C6 H15 110.970
C5 C6 H16 110.970 C6 C5 H13 111.758
H7 C3 H9 109.668 H7 C3 H11 109.392
H8 C4 H10 109.668 H8 C4 H12 109.392
H9 C3 H11 109.949 H10 C4 H12 109.949
H14 C6 H15 109.321 H14 C6 H16 109.321
H15 C6 H16 108.317

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