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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/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.4736 -0.5536 1.1225   0.6405 -1.0753 -0.4736
O2 -0.4736 -0.5536 -1.1225   0.4632 1.1627 -0.4736
C3 -0.4736 0.2652 2.2979   -0.0829 -2.3117 -0.4736
C4 -0.4736 0.2652 -2.2979   -0.4459 2.2698 -0.4736
C5 0.0861 0.1488 0.0000   -0.1483 -0.0118 0.0861
C6 1.6418 0.0896 0.0000   -0.0894 -0.0071 1.6418
H7 0.5348 0.5237 2.6347   -0.3140 -2.6678 0.5348
H8 0.5348 0.5237 -2.6347   -0.7302 2.5851 0.5348
H9 -0.9591 -0.3099 3.0882   0.5529 -3.0541 -0.9591
H10 -0.9591 -0.3099 -3.0882   0.0650 3.1031 -0.9591
H11 -1.0339 1.1943 2.1517   -1.0206 -2.2393 -1.0339
H12 -1.0339 1.1943 -2.1517   -1.3606 2.0506 -1.0339
H13 -0.2406 1.2044 0.0000   -1.2006 -0.0951 -0.2406
H14 1.9675 -0.9454 0.0000   0.9424 0.0747 1.9675
H15 2.0410 0.5842 -0.8788   -0.6518 0.8299 2.0410
H16 2.0410 0.5842 0.8788   -0.5130 -0.9222 2.0410
Atom - Atom Distances (Å)
  O1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.2450 1.4325 3.5171 1.4376 2.4797 2.1128 4.0366 2.0394 4.2457 2.1043 3.7536 2.0987 2.7152 3.4092 2.7707
O2 2.2450 3.5171 1.4325 1.4376 2.4797 4.0366 2.1128 4.2457 2.0394 3.7536 2.1043 2.0987 2.7152 2.7707 3.4092
C3 1.4325 3.5171 4.5958 2.3680 3.1283 1.0941 5.0412 1.0914 5.4385 1.0948 4.5799 2.4933 3.5644 4.0640 2.9049
C4 3.5171 1.4325 4.5958 2.3680 3.1283 5.0412 1.0941 5.4385 1.0914 4.5799 1.0948 2.4933 3.5644 2.9049 4.0640
C5 1.4376 1.4376 2.3680 2.3680 1.5569 2.6988 2.6988 3.2924 3.2924 2.6414 2.6414 1.1050 2.1764 2.1871 2.1871
C6 2.4797 2.4797 3.1283 3.1283 1.5569 2.8906 2.8906 4.0573 4.0573 3.6069 3.6069 2.1877 1.0850 1.0845 1.0845
H7 2.1128 4.0366 1.0941 5.0412 2.6988 2.8906 5.2693 1.7699 5.9731 1.7731 5.0813 2.8295 3.3395 3.8232 2.3141
H8 4.0366 2.1128 5.0412 1.0941 2.6988 2.8906 5.2693 5.9731 1.7699 5.0813 1.7731 2.8295 3.3395 2.3141 3.8232
H9 2.0394 4.2457 1.0914 5.4385 3.2924 4.0573 1.7699 5.9731 6.1765 1.7735 5.4521 3.5137 4.3018 5.0535 3.8317
H10 4.2457 2.0394 5.4385 1.0914 3.2924 4.0573 5.9731 1.7699 6.1765 5.4521 1.7735 3.5137 4.3018 3.8317 5.0535
H11 2.1043 3.7536 1.0948 4.5799 2.6414 3.6069 1.7731 5.0813 1.7735 5.4521 4.3033 2.2933 4.2680 4.3602 3.3834
H12 3.7536 2.1043 4.5799 1.0948 2.6414 3.6069 5.0813 1.7731 5.4521 1.7735 4.3033 2.2933 4.2680 3.3834 4.3602
H13 2.0987 2.0987 2.4933 2.4933 1.1050 2.1877 2.8295 2.8295 3.5137 3.5137 2.2933 2.2933 3.0817 2.5224 2.5224
H14 2.7152 2.7152 3.5644 3.5644 2.1764 1.0850 3.3395 3.3395 4.3018 4.3018 4.2680 4.2680 3.0817 1.7656 1.7656
H15 3.4092 2.7707 4.0640 2.9049 2.1871 1.0845 3.8232 2.3141 5.0535 3.8317 4.3602 3.3834 2.5224 1.7656 1.7576
H16 2.7707 3.4092 2.9049 4.0640 2.1871 1.0845 2.3141 3.8232 3.8317 5.0535 3.3834 4.3602 2.5224 1.7656 1.7576
Maximum atom distance is 6.1765Å 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 102.676 O1 C5 C6 111.745
O2 C5 C6 111.745 C3 O1 C5 111.188
C4 O2 C5 111.188
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H7 112.804 O1 C3 H9 107.035
O1 C3 H11 112.054 O1 C5 H13 110.587
O2 C4 H8 112.804 O2 C4 H10 107.035
O2 C4 H12 112.054 O2 C5 H13 110.587
C5 C6 H14 109.641 C5 C6 H15 110.514
C5 C6 H16 110.514 C6 C5 H13 109.376
H7 C3 H9 108.159 H7 C3 H11 108.202
H8 C4 H10 108.159 H8 C4 H12 108.202
H9 C3 H11 108.436 H10 C4 H12 108.436
H14 C6 H15 108.939 H14 C6 H16 108.939
H15 C6 H16 108.252

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