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Geometry for H2OCH3OH (water methanol dimer) 1A C1

1910171554
InChI=1S/CH4O.H2O/c1-2;/h2H,1H3;1H2 INChIKey=GBMDVOWEEQVZKZ-UHFFFAOYSA-N

HF_cp/6-311+G(3df,2pd)


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 1.3229 0.0949 0.0306
O2 2.2230 -0.1833 0.1046
O3 -0.6713 0.5882 -0.0782
H4 2.6352 0.0409 -0.7091
H5 -0.9458 1.3383 0.4155
C6 -1.6327 -0.4302 0.0024
H7 -2.5776 -0.1165 -0.4265
H8 -1.2582 -1.2702 -0.5620
H9 -1.7935 -0.7459 1.0267
Atom - Atom Distances (Å)
  H1 O2 O3 H4 H5 C6 H7 H8 H9
H1 0.9450 2.0572 1.5073 2.6156 3.0020 3.9328 2.9794 3.3780
O2 0.9450 3.0009 0.9393 3.5289 3.8649 4.8303 3.7073 4.1592
O3 2.0572 3.0009 3.4103 0.9390 1.4029 2.0620 2.0080 2.0640
H4 1.5073 0.9393 3.4103 3.9713 4.3524 5.2228 4.1109 4.8213
H5 2.6156 3.5289 0.9390 3.9713 1.9416 2.3426 2.8031 2.3315
C6 3.0020 3.8649 1.4029 4.3524 1.9416 1.0840 1.0791 1.0839
H7 3.9328 4.8303 2.0620 5.2228 2.3426 1.0840 1.7578 1.7672
H8 2.9794 3.7073 2.0080 4.1109 2.8031 1.0791 1.7578 1.7566
H9 3.3780 4.1592 2.0640 4.8213 2.3315 1.0839 1.7672 1.7566
Maximum atom distance is 5.2228Å between atoms H4 and H7.
picture of water methanol dimer
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.