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the following keywords are common:
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\begin{description}
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\item[JOBTYPE = string]\mbox{}\\
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This keyword must be set to {\tt oeprop} for \PSIthree\
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This keyword should be set to {\tt oeprop} for \PSIthree\
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to compute electron properties. There is no default.
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For CI wavefunctions, limited properties such as dipole and
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transition moments may be evaluated directly
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in {\tt detci} without having to specify {\tt JOBTYPE = oeprop}.
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\item[WFN = string]\mbox{}\\
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Acceptable values are {\tt scf} for HF, {\tt mp2} for MP2,
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{\tt detci} for CI, {\tt detcas} for CASSCF, and {\tt ccsd}
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{\tt Gaussian Cube} files can be processed by a number of programs. We cannot recommend
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any particular program for that purpose here.
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\subsection{Visualizing Molecular Obitals with gOpenMol}
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The {\tt Gaussian Cube} files generated by oeprop can be converted and viewed with gOpenMol.
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gOpenMol offers good looking plots in a graphical user interface. Information on
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downloading gOpenMol and samples of gOpenMol output may be found at
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\url{http://www.csc.fi/gopenmol/}.
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Installation instructions are included with the gOpenMol download. Once installed, the first
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step to viewing molecular orbitals is to convert the \keyword{mo.cube} into a format that
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gOpenMol recognizes. Under the Run menu, select \keyword{gCube2plt/g94cub2pl (cube) $\dots$},
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this will bring up a window with the heading \keyword{Run gCube2plt/g94cub2pl}. In the
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input file name field, select the \keyword{mo.cube} file you want to convert. Likewise, in
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the output file name field type the name of the output file you want. Click the Apply button
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to perform the conversion. This procedure will create a \keyword{.plt} and a
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\keyword{.crd} file. Once converted, click Dismiss to close the window. The
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{\tt Gaussian Cube} file is now converted and in a form that gOpenMol can recognize.
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In order to view the molecular orbital, the first step is to import the coordinate file
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(\keyword{.crd}). This is done under the File menu$\rightarrow$Import$\rightarrow$Coords$\dots$.
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Again, a window will pop up. In the Import file name field chose the \keyword{.crd} you just
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created from the conversion procedure. Click apply, then Dismiss to close the window. Now
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we have to import the \keyword{.plt} file to view the molecular orbital. Under the the
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Plot menu selct Contour$\dots$, this will bring up a window. In the File name field,
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either type the full path of the file name or use browse to select the \keyword{.plt}
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file you just created in the conversion, then click Import. In the Define contour levels
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we have to define the contour cutoffs for the positive and negative parts of the wave
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function seperately. I recommend trying 0.1 in the first box and -0.1 in the second. Click
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Apply to view the molecular orbital. You can change the colors of the positive and negative
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sections independently by clicking on the Colour button next to the respective cutoffs. Also,
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in the Details$\dots$ section, you can fine tune the properties of the molecular orbital,
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such as, the opacity, solid vs. mesh, smoothness, and cullface state. You can play around
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with various settings to get the surface to look exactly how you want it to. There is more
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information in the Help$\rightarrow$Tutorials menu on this subject as well as many other abilities