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Geometry for CH3CH2OH (Ethanol) 1A' CS

1910171554
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 INChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1658 -0.4163 0.0000   1.2087 -0.2671 0.0000
C2 0.0000 0.5472 0.0000   -0.0685 0.5429 0.0000
O3 -1.1908 -0.1957 0.0000   -1.1569 -0.3432 0.0000
H4 -1.9332 0.3784 0.0000   -1.9654 0.1335 0.0000
H5 2.1041 0.1265 0.0000   2.0718 0.3888 0.0000
H6 1.1337 -1.0497 0.8777   1.2562 -0.8995 0.8777
H7 1.1337 -1.0497 -0.8777   1.2562 -0.8995 -0.8777
H8 0.0466 1.1873 0.8773   -0.1024 1.1838 0.8773
H9 0.0466 1.1873 -0.8773   -0.1024 1.1838 -0.8773
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5124 2.3668 3.1992 1.0840 1.0829 1.0829 2.1433 2.1433
C2 1.5124 1.4035 1.9405 2.1458 2.1461 2.1461 1.0870 1.0870
O3 2.3668 1.4035 0.9385 3.3106 2.6273 2.6273 2.0527 2.0527
H4 3.1992 1.9405 0.9385 4.0452 3.4951 3.4951 2.3116 2.3116
H5 1.0840 2.1458 3.3106 4.0452 1.7594 1.7594 2.4756 2.4756
H6 1.0829 2.1461 2.6273 3.4951 1.7594 1.7554 2.4872 3.0440
H7 1.0829 2.1461 2.6273 3.4951 1.7594 1.7554 3.0440 2.4872
H8 2.1433 1.0870 2.0527 2.3116 2.4756 2.4872 3.0440 1.7546
H9 2.1433 1.0870 2.0527 2.3116 2.4756 3.0440 2.4872 1.7546
Maximum atom distance is 4.0452Å between atoms H4 and H5.
picture of Ethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 108.464
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.007 C1 C2 H9 110.007
C2 C1 H5 110.380 C2 C1 H6 110.477
C2 C1 H7 110.477 C2 O3 H4 110.321
O3 C2 H8 110.368 O3 C2 H9 110.368
H5 C1 H6 108.571 H5 C1 H7 108.571
H6 C1 H7 108.299 H8 C2 H9 107.626

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