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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

PBEPBE/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.4753 -0.5071 1.1160   0.3744 -1.1672 -0.4753
O2 -0.4753 -0.5071 -1.1160   0.6329 1.0498 -0.4753
C3 -0.4753 0.2801 2.2937   -0.5438 -2.2459 -0.4753
C4 -0.4753 0.2801 -2.2937   -0.0125 2.3107 -0.4753
C5 0.1062 0.1401 0.0000   -0.1392 0.0162 0.1062
C6 1.6269 -0.0058 0.0000   0.0058 -0.0007 1.6269
H7 0.5445 0.4852 2.6740   -0.7917 -2.5998 0.5445
H8 0.5445 0.4852 -2.6740   -0.1723 2.7122 0.5445
H9 -1.0193 -0.2959 3.0539   -0.0597 -3.0676 -1.0193
H10 -1.0193 -0.2959 -3.0539   0.6476 2.9991 -1.0193
H11 -0.9930 1.2481 2.1395   -1.4875 -1.9806 -0.9930
H12 -0.9930 1.2481 -2.1395   -0.9919 2.2697 -0.9930
H13 -0.1887 1.2181 0.0000   -1.2099 0.1411 -0.1887
H14 1.8788 -1.0761 0.0000   1.0689 -0.1246 1.8788
H15 2.0771 0.4651 -0.8879   -0.3591 0.9358 2.0771
H16 2.0771 0.4651 0.8879   -0.5648 -0.8281 2.0771
Atom - Atom Distances (Å)
  O1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.2320 1.4166 3.4994 1.4151 2.4322 2.1100 4.0483 2.0238 4.2105 2.0968 3.7346 2.0746 2.6666 3.3875 2.7408
O2 2.2320 3.4994 1.4166 1.4151 2.4322 4.0483 2.1100 4.2105 2.0238 3.7346 2.0968 2.0746 2.6666 2.7408 3.3875
C3 1.4166 3.4994 4.5875 2.3704 3.1244 1.1075 5.0754 1.0980 5.4060 1.1086 4.5671 2.4946 3.5555 4.0831 2.9198
C4 3.4994 1.4166 4.5875 2.3704 3.1244 5.0754 1.1075 5.4060 1.0980 4.5671 1.1086 2.4946 3.5555 2.9198 4.0831
C5 1.4151 1.4151 2.3704 2.3704 1.5277 2.7316 2.7316 3.2838 3.2838 2.6483 2.6483 1.1175 2.1497 2.1860 2.1860
C6 2.4322 2.4322 3.1244 3.1244 1.5277 2.9262 2.9262 4.0512 4.0512 3.6075 3.6075 2.1896 1.0995 1.1013 1.1013
H7 2.1100 4.0483 1.1075 5.0754 2.7316 2.9262 5.3480 1.7889 5.9887 1.7977 5.1103 2.8679 3.3717 3.8777 2.3536
H8 4.0483 2.1100 5.0754 1.1075 2.7316 2.9262 5.3480 5.9887 1.7889 5.1103 1.7977 2.8679 3.3717 2.3536 3.8777
H9 2.0238 4.2105 1.0980 5.4060 3.2838 4.0512 1.7889 5.9887 6.1078 1.7947 5.4181 3.5083 4.2818 5.0700 3.8546
H10 4.2105 2.0238 5.4060 1.0980 3.2838 4.0512 5.9887 1.7889 6.1078 5.4181 1.7947 3.5083 4.2818 3.8546 5.0700
H11 2.0968 3.7346 1.1086 4.5671 2.6483 3.6075 1.7977 5.1103 1.7947 5.4181 4.2790 2.2859 4.2693 4.3822 3.4067
H12 3.7346 2.0968 4.5671 1.1086 2.6483 3.6075 5.1103 1.7977 5.4181 1.7947 4.2790 2.2859 4.2693 3.4067 4.3822
H13 2.0746 2.0746 2.4946 2.4946 1.1175 2.1896 2.8679 2.8679 3.5083 3.5083 2.2859 2.2859 3.0883 2.5474 2.5474
H14 2.6666 2.6666 3.5555 3.5555 2.1497 1.0995 3.3717 3.3717 4.2818 4.2818 4.2693 4.2693 3.0883 1.7897 1.7897
H15 3.3875 2.7408 4.0831 2.9198 2.1860 1.1013 3.8777 2.3536 5.0700 3.8546 4.3822 3.4067 2.5474 1.7897 1.7758
H16 2.7408 3.3875 2.9198 4.0831 2.1860 1.1013 2.3536 3.8777 3.8546 5.0700 3.4067 4.3822 2.5474 1.7897 1.7758
Maximum atom distance is 6.1078Å 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 104.120 O1 C5 C6 111.426
O2 C5 C6 111.426 C3 O1 C5 113.673
C4 O2 C5 113.673
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H7 112.854 O1 C3 H9 106.504
O1 C3 H11 111.690 O1 C5 H13 109.437
O2 C4 H8 112.854 O2 C4 H10 106.504
O2 C4 H12 111.690 O2 C5 H13 109.437
C5 C6 H14 108.727 C5 C6 H15 111.475
C5 C6 H16 111.475 C6 C5 H13 110.781
H7 C3 H9 108.403 H7 C3 H11 108.424
H8 C4 H10 108.403 H8 C4 H12 108.424
H9 C3 H11 108.844 H10 C4 H12 108.844
H14 C6 H15 108.820 H14 C6 H16 108.820
H15 C6 H16 107.458

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