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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

MP2/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3610 -0.2507 0.0000   1.2192 0.6547 0.0000
Cl2 -2.6446 0.9928 0.0000   2.8215 -0.1370 0.0000
C3 0.0000 0.4112 0.0000   0.1257 -0.3915 0.0000
C4 3.2124 -1.3583 0.0000   -3.4739 0.3116 0.0000
C5 2.2899 -0.1600 0.0000   -2.2292 -0.5475 0.0000
O6 0.9510 -0.6324 0.0000   -1.0988 0.3115 0.0000
H7 4.2520 -1.0300 0.0000   -4.3634 -0.3187 0.0000
H8 -1.4864 -0.8624 0.8893   1.1517 1.2754 0.8893
H9 -1.4864 -0.8624 -0.8893   1.1517 1.2754 -0.8893
H10 0.1077 1.0467 -0.8882   0.2173 -1.0295 -0.8882
H11 0.1077 1.0467 0.8882   0.2173 -1.0295 0.8882
H12 3.0377 -1.9684 -0.8849   -3.4939 0.9459 -0.8849
H13 3.0377 -1.9684 0.8849   -3.4939 0.9459 0.8849
H14 2.4663 0.4636 0.8865   -2.2066 -1.1952 0.8865
H15 2.4663 0.4636 -0.8865   -2.2066 -1.1952 -0.8865
Atom - Atom Distances (Å)
  C1 Cl2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.7872 1.5134 4.7056 3.6520 2.3432 5.6668 1.0866 1.0866 2.1516 2.1516 4.8043 4.8043 3.9930 3.9930
Cl2 1.7872 2.7078 6.3113 5.0674 3.9459 7.1872 2.3610 2.3610 2.8927 2.8927 6.4684 6.4684 5.2142 5.2142
C3 1.5134 2.7078 3.6675 2.3600 1.4119 4.4896 2.1499 2.1499 1.0975 1.0975 3.9589 3.9589 2.6213 2.6213
C4 4.7056 6.3113 3.6675 1.5123 2.3751 1.0902 4.8079 4.8079 4.0264 4.0264 1.0889 1.0889 2.1592 2.1592
C5 3.6520 5.0674 2.3600 1.5123 1.4198 2.1464 3.9426 3.9426 2.6470 2.6470 2.1477 2.1477 1.0981 1.0981
O6 2.3432 3.9459 1.4119 2.3751 1.4198 3.3249 2.6047 2.6047 2.0783 2.0783 2.6310 2.6310 2.0696 2.0696
H7 5.6668 7.1872 4.4896 1.0902 2.1464 3.3249 5.8093 5.8093 4.7198 4.7198 1.7715 1.7715 2.4911 2.4911
H8 1.0866 2.3610 2.1499 4.8079 3.9426 2.6047 5.8093 1.7787 3.0570 2.4871 4.9838 4.6573 4.1691 4.5316
H9 1.0866 2.3610 2.1499 4.8079 3.9426 2.6047 5.8093 1.7787 2.4871 3.0570 4.6573 4.9838 4.5316 4.1691
H10 2.1516 2.8927 1.0975 4.0264 2.6470 2.0783 4.7198 3.0570 2.4871 1.7764 4.2042 4.5628 3.0087 2.4296
H11 2.1516 2.8927 1.0975 4.0264 2.6470 2.0783 4.7198 2.4871 3.0570 1.7764 4.5628 4.2042 2.4296 3.0087
H12 4.8043 6.4684 3.9589 1.0889 2.1477 2.6310 1.7715 4.9838 4.6573 4.2042 4.5628 1.7698 3.0625 2.4983
H13 4.8043 6.4684 3.9589 1.0889 2.1477 2.6310 1.7715 4.6573 4.9838 4.5628 4.2042 1.7698 2.4983 3.0625
H14 3.9930 5.2142 2.6213 2.1592 1.0981 2.0696 2.4911 4.1691 4.5316 3.0087 2.4296 3.0625 2.4983 1.7730
H15 3.9930 5.2142 2.6213 2.1592 1.0981 2.0696 2.4911 4.5316 4.1691 2.4296 3.0087 2.4983 3.0625 1.7730
Maximum atom distance is 7.1872Å 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 106.406 Cl2 C1 C3 109.974
C3 O6 C5 112.908 C4 C5 O6 108.157
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H10 109.972 C1 C3 H11 109.972
Cl2 C1 H8 107.984 Cl2 C1 H9 107.984
C3 C1 H8 110.487 C3 C1 H9 110.487
C4 C5 H14 110.609 C4 C5 H15 110.609
C5 C4 H7 110.066 C5 C4 H12 110.246
C5 C4 H13 110.246 O6 C3 H10 111.216
O6 C3 H11 111.216 O6 C5 H14 109.904
O6 C5 H15 109.904 H7 C4 H12 108.767
H7 C4 H13 108.767 H8 C1 H9 109.856
H10 C3 H11 108.064 H12 C4 H13 108.706
H14 C5 H15 107.661

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