MPA in G98]

 Thanks to everyone who replied to my question. It seems that G98 can not
 perform this task. I received two links to programs, one commercial, one
 free of charge. The original answers are given below. I tried to install
 Reinaldo's program on a PC running Linux RedHat 7.2. Since the program
 requires gcc3, I tried to install this as well. Unfortunately, I ended up
 with tons of dependencies. So I tried to get the list of things which were
 shown to be missing. This resulted in more dependencies for every item I
 tried to install. Finally, I got lost and gave up. Is this the way it goes
 or am I doing something wrong? I am not very accomplished with Linux, just
 getting by.
 Regards, Uli
 Summary:
 Hello,
is it possible to print individual summations of the Mulliken populations with G98 like in Mullikens 1955 paper? In particular, I would need the populations of basis functions in a given MO. 
 Thanks,
 Uli Salzner
Hi, 
        I wrote a program to calculate the Mulliken pop analysis that
 gaussian doesn't. It needs a log file with the overlap matrix and all the
 coeffs in the mo-lcao expansion. You could have a try at it. It is available
 
 from my web page at  <http://www.quimica.unlp.edu.ar/cequinor/rpd_en.htm>;
 
 http://www.quimica.unlp.edu.ar/cequinor/rpd_en.htm under
 "software
 development". I called it MullPop. Let me know if it is useful for your
purposes and/or if you have any problems during compilation/running. Hope this helps. Regards, Reinaldo 
 Hello,
you can do all this with the following program (it will "post-process" 
 gaussian output files):
 http://www.obbligato.com/software/aomix/
<http://www.obbligato.com/software/aomix/>; 
 With regards,
 Dr. S.I. Gorelsky
 Department of Chemistry, Stanford University
Box 155, Mudd Bldg., 333 Campus Drive, Stanford, California 94305-5080 
 U.S.A.
Brian Salter-Duke wrote: 
 Hi Uli,
 I wrote a patch for G98 some years ago that does this in part. It sums
 the populations in each MO of all basis functions that have the same l
 value. I use it see if there is mixing between d and valence orbitals in
 3rd row systems. I sent it to Gaussian but I do not think they want to
 put it in. If you want it, I can sort it out for you in a couple of
 days, but I'm pretty busy until Friday.
 Brian.
--- Begin Message --- 
Thanks to everyone who replied to my question. It seems that G98 can not
 perform this task. I received two links to programs, one commercial, one
 free of charge. The original answers are given below. I tried to install
 Reinaldo's program on a PC running Linux RedHat 7.2. Since the program
 requires gcc3, I tried to install this as well. Unfortunately, I ended up
 with tons of dependencies. So I tried to get the list of things which were
 shown to be missing. This resulted in more dependencies for every item I
 tried to install. Finally, I got lost and gave up. Is this the way it goes
 or am I doing something wrong? I am not very accomplished with Linux, just
 getting by.
 Regards, Uli
 Summary:
 Hello,
 is it possible to print individual summations of the Mulliken
 populations with G98 like in Mullikens 1955 paper? In particular, I
 would need the populations of basis functions in a given MO.
 Thanks,
 Uli Salzner
     Hi,
         I wrote a program to calculate the Mulliken pop analysis that
 gaussian doesn't. It needs a log file with the overlap matrix and all the
 coeffs in the mo-lcao expansion. You could have a try at it. It is available
 > from my web page at  <http://www.quimica.unlp.edu.ar/cequinor/rpd_en.htm>;
 http://www.quimica.unlp.edu.ar/cequinor/rpd_en.htm under
 "software
 development". I called it MullPop. Let me know if it is useful for your
 purposes and/or if you have any problems during compilation/running.
         Hope this helps.
         Regards,
                                 Reinaldo
 Hello,
 you can do all this with the following program (it will "post-process"
 gaussian output files):
 http://www.obbligato.com/software/aomix/
 <http://www.obbligato.com/software/aomix/>;
 With regards,
 Dr. S.I. Gorelsky
 Department of Chemistry, Stanford University
 Box 155, Mudd Bldg., 333 Campus Drive, Stanford, California 94305-5080
 U.S.A.
 Brian Salter-Duke wrote:
 Hi Uli,
 I wrote a patch for G98 some years ago that does this in part. It sums
 the populations in each MO of all basis functions that have the same l
 value. I use it see if there is mixing between d and valence orbitals in
 3rd row systems. I sent it to Gaussian but I do not think they want to
 put it in. If you want it, I can sort it out for you in a couple of
 days, but I'm pretty busy until Friday.
 Brian.
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