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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

G2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 -1.3540 -0.2594 0.0000
Cl2 -2.6542 0.9600 0.0000
C3 0.0000 0.4160 0.0000
C4 3.2214 -1.3209 0.0000
C5 2.2888 -0.1313 0.0000
O6 0.9548 -0.6292 0.0000
H7 4.2635 -0.9904 0.0000
H8 -1.4686 -0.8795 0.8886
H9 -1.4686 -0.8795 -0.8886
H10 0.1086 1.0538 -0.8894
H11 0.1086 1.0538 0.8894
H12 3.0483 -1.9344 -0.8862
H13 3.0483 -1.9344 0.8862
H14 2.4528 0.4984 0.8873
H15 2.4528 0.4984 -0.8873
Atom - Atom Distances (Å)
  C1 Cl2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.7826 1.5131 4.6969 3.6451 2.3382 5.6649 1.0896 1.0896 2.1575 2.1575 4.7929 4.7929 3.9817 3.9817
Cl2 1.7826 2.7094 6.3028 5.0620 3.9434 7.1874 2.3620 2.3620 2.9039 2.9039 6.4561 6.4561 5.2041 5.2041
C3 1.5131 2.7094 3.6598 2.3533 1.4156 4.4895 2.1505 2.1505 1.0998 1.0998 3.9499 3.9499 2.6097 2.6097
C4 4.6969 6.3028 3.6598 1.5116 2.3698 1.0933 4.7938 4.7938 4.0149 4.0149 1.0916 1.0916 2.1651 2.1651
C5 3.6451 5.0620 2.3533 1.5116 1.4239 2.1535 3.9328 3.9328 2.6361 2.6361 2.1478 2.1478 1.1003 1.1003
O6 2.3382 3.9434 1.4156 2.3698 1.4239 3.3284 2.5932 2.5932 2.0831 2.0831 2.6214 2.6214 2.0743 2.0743
H7 5.6649 7.1874 4.4895 1.0933 2.1535 3.3284 5.8016 5.8016 4.7152 4.7152 1.7757 1.7757 2.5064 2.5064
H8 1.0896 2.3620 2.1505 4.7938 3.9328 2.5932 5.8016 1.7771 3.0636 2.4950 4.9664 4.6385 4.1564 4.5199
H9 1.0896 2.3620 2.1505 4.7938 3.9328 2.5932 5.8016 1.7771 2.4950 3.0636 4.6385 4.9664 4.5199 4.1564
H10 2.1575 2.9039 1.0998 4.0149 2.6361 2.0831 4.7152 3.0636 2.4950 1.7787 4.1918 4.5523 2.9934 2.4092
H11 2.1575 2.9039 1.0998 4.0149 2.6361 2.0831 4.7152 2.4950 3.0636 1.7787 4.5523 4.1918 2.4092 2.9934
H12 4.7929 6.4561 3.9499 1.0916 2.1478 2.6214 1.7757 4.9664 4.6385 4.1918 4.5523 1.7723 3.0689 2.5046
H13 4.7929 6.4561 3.9499 1.0916 2.1478 2.6214 1.7757 4.6385 4.9664 4.5523 4.1918 1.7723 2.5046 3.0689
H14 3.9817 5.2041 2.6097 2.1651 1.1003 2.0743 2.5064 4.1564 4.5199 2.9934 2.4092 3.0689 2.5046 1.7746
H15 3.9817 5.2041 2.6097 2.1651 1.1003 2.0743 2.5064 4.5199 4.1564 2.4092 2.9934 2.5046 3.0689 1.7746
Maximum atom distance is 7.1874Å 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
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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