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Calculated electric dipole moments for C5H8O (Methyl cyclopropyl ketone) at M06-2X/aug-cc-pVDZ

22 04 22 12 11
Electric dipole components in Debye
See section VII.A to change units.
  x y z Total
  2.945 -0.039 0.000 2.945
Dipole moments along inertial axes
  a b c Total
  -0.593 2.885 0.000 2.945

Cartesian coordinates of the atoms. Units are Ångstrom (Å).
Atom number Atom type x y z
1 O -1.474025 -0.547475 0.000000
2 C -0.277393 -0.754808 0.000000
3 C 0.294620 -2.151448 0.000000
4 C 0.704202 0.368353 0.000000
5 C 0.294620 1.624558 0.743795
6 C 0.294620 1.624558 -0.743795
7 H -0.513253 -2.887344 0.000000
8 H 0.932693 -2.283937 -0.884429
9 H 0.932693 -2.283937 0.884429
10 H 1.758247 0.099782 0.000000
11 H -0.671265 1.570119 1.240015
12 H 1.080176 2.163856 1.265807
13 H -0.671265 1.570119 -1.240015
14 H 1.080176 2.163856 -1.265807
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For some molecules the dipole bar may be hidden by the bonds and atoms. The point of the arrow is positive.


The molecular picture below may not be oriented.
picture of Methyl cyclopropyl ketone