<![CDATA[Multiwfn forum / Viewing Molecular Orbitals diagram]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?id=770 Sun, 05 Feb 2023 18:45:03 +0000 FluxBB <![CDATA[Re: Viewing Molecular Orbitals diagram]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=2952#p2952 Dear Professor
Thank you for reply.
Best Regards

]]>
Sun, 05 Feb 2023 18:45:03 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=2952#p2952
<![CDATA[Re: Viewing Molecular Orbitals diagram]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=2950#p2950 Easiest way:

Load .fch file into Multiwfn, enter main function 6, select option 3 to print all orbital energies on screen, then copy orbital energies from Multiwfn window to Origin, and plot a scatter map in Origin with — as symbol, and properly set size of the symbol so that the bar is long enough.

]]>
Sun, 05 Feb 2023 18:01:59 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=2950#p2950
<![CDATA[Viewing Molecular Orbitals diagram]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=2949#p2949 Dear Professor
Can we create the orbital diagram from the out file obtained with the Gaussian09 or 16 program, as in the attached figure?
Best Regards


Ads-z.jpg

]]>
Sun, 05 Feb 2023 13:29:51 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=2949#p2949
久久精品国产99久久香蕉