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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

LSDA/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.4120 -0.5857 1.0984   0.1532 -1.2354 -0.4120
O2 -0.4120 -0.5857 -1.0984   0.9405 0.8156 -0.4120
C3 -0.4120 0.1384 2.2924   -0.9506 -2.0905 -0.4120
C4 -0.4120 0.1384 -2.2924   0.6923 2.1897 -0.4120
C5 0.0029 0.1617 0.0000   -0.1510 0.0580 0.0029
C6 1.4950 0.3855 0.0000   -0.3599 0.1381 1.4950
H7 0.6098 0.4206 2.6235   -1.3327 -2.2985 0.6098
H8 0.6098 0.4206 -2.6235   0.5475 2.5999 0.6098
H9 -0.8605 -0.5065 3.0633   -0.6248 -3.0414 -0.8605
H10 -0.8605 -0.5065 -3.0633   1.5706 2.6784 -0.8605
H11 -1.0183 1.0669 2.2035   -1.7857 -1.6748 -1.0183
H12 -1.0183 1.0669 -2.2035   -0.2065 2.4395 -1.0183
H13 -0.5395 1.1495 0.0000   -1.0732 0.4119 -0.5395
H14 1.9990 -0.5954 0.0000   0.5558 -0.2133 1.9990
H15 1.8142 0.9561 -0.8885   -0.5742 1.1721 1.8142
H16 1.8142 0.9561 0.8885   -1.2110 -0.4869 1.8142
Atom - Atom Distances (Å)
  O1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.1969 1.3964 3.4672 1.3919 2.4055 2.0935 3.9886 2.0170 4.1866 2.0784 3.7418 2.0577 2.6495 3.3587 2.7161
O2 2.1969 3.4672 1.3964 1.3919 2.4055 3.9886 2.0935 4.1866 2.0170 3.7418 2.0784 2.0577 2.6495 2.7161 3.3587
C3 1.3964 3.4672 4.5847 2.3297 2.9921 1.1106 5.0288 1.1006 5.4130 1.1125 4.6306 2.5087 3.4068 3.9677 2.7560
C4 3.4672 1.3964 4.5847 2.3297 2.9921 5.0288 1.1106 5.4130 1.1006 4.6306 1.1125 2.5087 3.4068 2.7560 3.9677
C5 1.3919 1.3919 2.3297 2.3297 1.5087 2.7052 2.7052 3.2521 3.2521 2.5918 2.5918 1.1269 2.1349 2.1682 2.1682
C6 2.4055 2.4055 2.9921 2.9921 1.5087 2.7690 2.7690 3.9658 3.9658 3.4112 3.4112 2.1732 1.1028 1.1031 1.1031
H7 2.0935 3.9886 1.1106 5.0288 2.7052 2.7690 5.2469 1.7930 5.9465 1.8013 5.1350 2.9555 3.1376 3.7511 2.1789
H8 3.9886 2.0935 5.0288 1.1106 2.7052 2.7690 5.2469 5.9465 1.7930 5.1350 1.8013 2.9555 3.1376 2.1789 3.7511
H9 2.0170 4.1866 1.1006 5.4130 3.2521 3.9658 1.7930 5.9465 6.1266 1.8000 5.4991 3.4970 4.1915 4.9910 3.7447
H10 4.1866 2.0170 5.4130 1.1006 3.2521 3.9658 5.9465 1.7930 6.1266 5.4991 1.8000 3.4970 4.1915 3.7447 4.9910
H11 2.0784 3.7418 1.1125 4.6306 2.5918 3.4112 1.8013 5.1350 1.8000 5.4991 4.4070 2.2564 4.0893 4.1946 3.1248
H12 3.7418 2.0784 4.6306 1.1125 2.5918 3.4112 5.1350 1.8013 5.4991 1.8000 4.4070 2.2564 4.0893 3.1248 4.1946
H13 2.0577 2.0577 2.5087 2.5087 1.1269 2.1732 2.9555 2.9555 3.4970 3.4970 2.2564 2.2564 3.0804 2.5232 2.5232
H14 2.6495 2.6495 3.4068 3.4068 2.1349 1.1028 3.1376 3.1376 4.1915 4.1915 4.0893 4.0893 3.0804 1.7974 1.7974
H15 3.3587 2.7161 3.9677 2.7560 2.1682 1.1031 3.7511 2.1789 4.9910 3.7447 4.1946 3.1248 2.5232 1.7974 1.7770
H16 2.7161 3.3587 2.7560 3.9677 2.1682 1.1031 2.1789 3.7511 3.7447 4.9910 3.1248 4.1946 2.5232 1.7974 1.7770
Maximum atom distance is 6.1266Å 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 104.210 O1 C5 C6 111.991
O2 C5 C6 111.991 C3 O1 C5 113.344
C4 O2 C5 113.344
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H7 112.748 O1 C3 H9 107.163
O1 C3 H11 111.378 O1 C5 H13 109.100
O2 C4 H8 112.748 O2 C4 H10 107.163
O2 C4 H12 111.378 O2 C5 H13 109.100
C5 C6 H14 108.671 C5 C6 H15 111.276
C5 C6 H16 111.276 C6 C5 H13 110.245
H7 C3 H9 108.358 H7 C3 H11 108.247
H8 C4 H10 108.358 H8 C4 H12 108.247
H9 C3 H11 108.843 H10 C4 H12 108.843
H14 C6 H15 109.137 H14 C6 H16 109.137
H15 C6 H16 107.301

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