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Geometry for C4H9ClO (1-Chloro-2-ethoxyethane) 1A' CS

1910171554
InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3 INChIKey=GPTVQTPMFOLLOA-UHFFFAOYSA-N

MP2/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3499 -0.2671 0.0000   1.2002 0.6731 0.0000
Cl2 -2.6493 0.9621 0.0000   2.8171 -0.0918 0.0000
C3 0.0000 0.4150 0.0000   0.1289 -0.3945 0.0000
C4 3.2164 -1.3202 0.0000   -3.4674 0.2560 0.0000
C5 2.2843 -0.1301 0.0000   -2.2117 -0.5857 0.0000
O6 0.9528 -0.6290 0.0000   -1.1010 0.3020 0.0000
H7 4.2572 -0.9847 0.0000   -4.3525 -0.3861 0.0000
H8 -1.4728 -0.8816 0.8911   1.1262 1.2954 0.8911
H9 -1.4728 -0.8816 -0.8911   1.1262 1.2954 -0.8911
H10 0.1032 1.0539 -0.8900   0.2291 -1.0338 -0.8900
H11 0.1032 1.0539 0.8900   0.2291 -1.0338 0.8900
H12 3.0449 -1.9341 -0.8866   -3.4950 0.8928 -0.8866
H13 3.0449 -1.9341 0.8866   -3.4950 0.8928 0.8866
H14 2.4515 0.4992 0.8878   -2.1753 -1.2359 0.8878
H15 2.4515 0.4992 -0.8878   -2.1753 -1.2359 -0.8878
Atom - Atom Distances (Å)
  C1 Cl2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.7887 1.5124 4.6862 3.6367 2.3309 5.6528 1.0894 1.0894 2.1560 2.1560 4.7832 4.7832 3.9782 3.9782
Cl2 1.7887 2.7052 6.2941 5.0530 3.9378 7.1756 2.3616 2.3616 2.8943 2.8943 6.4496 6.4496 5.1981 5.1981
C3 1.5124 2.7052 3.6546 2.3484 1.4134 4.4814 2.1551 2.1551 1.1004 1.1004 3.9466 3.9466 2.6087 2.6087
C4 4.6862 6.2941 3.6546 1.5117 2.3668 1.0935 4.7933 4.7933 4.0150 4.0150 1.0919 1.0919 2.1642 2.1642
C5 3.6367 5.0530 2.3484 1.5117 1.4218 2.1501 3.9338 3.9338 2.6364 2.6364 2.1492 2.1492 1.1010 1.1010
O6 2.3309 3.9378 1.4134 2.3668 1.4218 3.3235 2.5965 2.5965 2.0846 2.0846 2.6204 2.6204 2.0754 2.0754
H7 5.6528 7.1756 4.4814 1.0935 2.1501 3.3235 5.7998 5.7998 4.7120 4.7120 1.7768 1.7768 2.5001 2.5001
H8 1.0894 2.3616 2.1551 4.7933 3.9338 2.5965 5.7998 1.7822 3.0663 2.4960 4.9677 4.6387 4.1602 4.5246
H9 1.0894 2.3616 2.1551 4.7933 3.9338 2.5965 5.7998 1.7822 2.4960 3.0663 4.6387 4.9677 4.5246 4.1602
H10 2.1560 2.8943 1.1004 4.0150 2.6364 2.0846 4.7120 3.0663 2.4960 1.7799 4.1930 4.5538 2.9971 2.4129
H11 2.1560 2.8943 1.1004 4.0150 2.6364 2.0846 4.7120 2.4960 3.0663 1.7799 4.5538 4.1930 2.4129 2.9971
H12 4.7832 6.4496 3.9466 1.0919 2.1492 2.6204 1.7768 4.9677 4.6387 4.1930 4.5538 1.7733 3.0695 2.5046
H13 4.7832 6.4496 3.9466 1.0919 2.1492 2.6204 1.7768 4.6387 4.9677 4.5538 4.1930 1.7733 2.5046 3.0695
H14 3.9782 5.1981 2.6087 2.1642 1.1010 2.0754 2.5001 4.1602 4.5246 2.9971 2.4129 3.0695 2.5046 1.7756
H15 3.9782 5.1981 2.6087 2.1642 1.1010 2.0754 2.5001 4.5246 4.1602 2.4129 2.9971 2.5046 3.0695 1.7756
Maximum atom distance is 7.1756Å between atoms Cl2 and H7.
picture of 1-Chloro-2-ethoxyethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 O6 105.581 Cl2 C1 C3 109.785
C3 O6 C5 111.846 C4 C5 O6 107.529
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H10 110.217 C1 C3 H11 110.217
Cl2 C1 H8 107.798 Cl2 C1 H9 107.798
C3 C1 H8 110.801 C3 C1 H9 110.801
C4 C5 H14 110.873 C4 C5 H15 110.873
C5 C4 H7 110.203 C5 C4 H12 110.226
C5 C4 H13 110.226 O6 C3 H10 111.443
O6 C3 H11 111.443 O6 C5 H14 110.048
O6 C5 H15 110.048 H7 C4 H12 108.781
H7 C4 H13 108.781 H8 C1 H9 109.762
H10 C3 H11 107.952 H12 C4 H13 108.579
H14 C5 H15 107.486

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