From owner-chemistry@ccl.net Tue Dec 16 00:16:00 2008
From: "Antonio G. De Crisci antonio.decrisci ~ utoronto.ca" <owner-chemistry_-_server.ccl.net>
To: CCL
Subject: CCL: Millsian 1.0
Message-Id: <-38304-081216001435-4970-omSi0bxvV1gwA9leqYnpKA_-_server.ccl.net>
X-Original-From: "Antonio G. De Crisci" <antonio.decrisci|a|utoronto.ca>
Date: Tue, 16 Dec 2008 00:14:32 -0500


Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci-.-utoronto.ca]
Hello All,

Has anybody used this program found at the link below?

http://www.millsian.com/

Its still in development, but I like the idea of not using super computer for large system. It doesnt use the laws of QM, but yet is able to predict properties of organic molecules quite accurately using classical physics?

Anthony


From owner-chemistry@ccl.net Tue Dec 16 00:56:01 2008
From: "hirdesh kumar hirdeshs8],[gmail.com" <owner-chemistry(_)server.ccl.net>
To: CCL
Subject: CCL: How to run jobs in background for linux based schrodinger system
Message-Id: <-38305-081215061631-14435-Jjp+vdZD8Lprytk4hMVE0w(_)server.ccl.net>
X-Original-From: "hirdesh kumar" <hirdeshs8-$-gmail.com>
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	boundary="----=_Part_148356_3570942.1229337810303"
Date: Mon, 15 Dec 2008 16:13:30 +0530
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Sent to CCL by: "hirdesh kumar" [hirdeshs8---gmail.com]

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To all;
I am using linux based schrodinger software and i want to use glide as well
as induce fit docking module at a time. Can any one please tell me how can i
run more than one jobs in background.?


-- 
Hirdesh Kumar Sharma
M.S. 3rd Sem.
Center for Pharmacoinformatics
NIPER,
Sector 67, S.A.S. Nagar, Mohali
Punjab-160062

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To all;<br>I am using linux based schrodinger software and i want to use glide as well as induce fit docking module at a time. Can any one please tell me how can i run more than one jobs in background.?<br><br clear="all">
<br>-- <br>Hirdesh Kumar Sharma<br>M.S. 3rd Sem.<br>Center for Pharmacoinformatics<br>NIPER,<br>Sector 67, S.A.S. Nagar, Mohali<br>Punjab-160062<br>

------=_Part_148356_3570942.1229337810303--


From owner-chemistry@ccl.net Tue Dec 16 01:31:01 2008
From: "Aditya Chhikara adichhikara(-)gmail.com" <owner-chemistry+/-server.ccl.net>
To: CCL
Subject: CCL: problem generating cube files- Total density not found on fchk file
Message-Id: <-38306-081216004546-18419-UI6tqm9BNCzcdESD3ZqyzQ+/-server.ccl.net>
X-Original-From: "Aditya  Chhikara" <adichhikara{=}gmail.com>
Date: Tue, 16 Dec 2008 00:45:41 -0500


Sent to CCL by: "Aditya  Chhikara" [adichhikara^_^gmail.com]
Hello,
I'm trying to generate a .cube file from a .fchk file but am getting the error "Total density not found on fchk file" 

I successfully generated the .fchk file from the .chk file using the formchk keyword. For generating the .chk file, I used the pop=full keyword. 

My command line is: 
cubegen 0 density=scf filename.fchk filename.cube 0 h

If anybody has had this problem before, and knows to solve it, please advise. 

Thanks,
Adi Chhikara


From owner-chemistry@ccl.net Tue Dec 16 02:47:01 2008
From: "Daniil Bratashov dn2010,,gmail.com" <owner-chemistry---server.ccl.net>
To: CCL
Subject: CCL: share information adbout your favorite soft and web tutorials
Message-Id: <-38307-081216024057-26471-h3+8LACW4f12LiGw3m5arA---server.ccl.net>
X-Original-From: Daniil Bratashov <dn2010[a]gmail.com>
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Content-Type: text/plain; charset=US-ASCII
Date: Tue, 16 Dec 2008 10:40:30 +0300
Mime-Version: 1.0


Sent to CCL by: Daniil Bratashov [dn2010_+_gmail.com]
On Mon, 15 Dec 2008 17:38:28 -0500
"Anatoli Korkin a_korkin\a/yahoo.com" <owner-chemistry:+:ccl.net> wrote:

> Sent to CCL by: "Anatoli  Korkin" [a_korkin*yahoo.com]

> We are planning to update the links at the "software" and "education
> pages at ASDN:
> 
> http://www.asdn.net/asdn/links/software.shtml

In Design & Visualization:

ghemical http://www.uku.fi/~thassine/projects/ghemical/
wxmacmolplt http://www.scl.ameslab.gov/MacMolPlt/

In Classical Mechanics & Molecular Dynamics:

AMBER is commercial software 
(Fees: Academic/non-profit/government:
$400. Industrial (for-profit): $20,000 for new licensees, $15,000 for
licensees of Amber 9. Porting and demonstration licenses are available;
see the License Agreement for details.)

In Quantum Mechanics:

PC GAMESS/Firefly http://classic.chem.msu.su/gran/gamess/index.html

WBR, Daniil Bratashov.


From owner-chemistry@ccl.net Tue Dec 16 03:33:01 2008
From: "kshatresh kshatresh+*+gmail.com" <owner-chemistry++server.ccl.net>
To: CCL
Subject: CCL: How to run jobs in background for linux based schrodinger system
Message-Id: <-38308-081216032628-29537-uafE97op/TVUn4U1s3BiuA++server.ccl.net>
X-Original-From: kshatresh <kshatresh###gmail.com>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; format=flowed; delsp=yes; charset=utf-8
Date: Sat, 20 Sep 2008 12:17:22 -0700
MIME-Version: 1.0


Sent to CCL by: kshatresh [kshatresh|gmail.com]
Hi Hirdesh ..

if your system have more than one processer than surely you can run more  
than one jobs simulataeneously. It's very simple...go to maestro  
module...open application...then run glide as you want ...now you can  
close that application ,it will run in background untill job  
incorporation...same time u can go in workflow and run induced fit docking  
as u want..

For further assistance u are always welcome...

Kshatresh Dutta Dubey
Research Scholar (Computational Molecular Biophysics)

> To all;
> I am using linux based schrodinger software and i want to use glide as  
> well
> as induce fit docking module at a time. Can any one please tell me how  
> can i
> run more than one jobs in background.?
>
>



-- 
Using Opera's revolutionary e-mail client: http://www.opera.com/mail/


From owner-chemistry@ccl.net Tue Dec 16 12:20:01 2008
From: "Richard Henchman henchman~!~manchester.ac.uk" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL: translational entropy and solvation
Message-Id: <-38309-081216085341-1727-QmQDXrXaqrJcdlE9K+OPLw=server.ccl.net>
X-Original-From: "Richard  Henchman" <henchman:-:manchester.ac.uk>
Date: Tue, 16 Dec 2008 08:53:37 -0500


Sent to CCL by: "Richard  Henchman" [henchman,manchester.ac.uk]
It is possible to regard a solute as having the ideal-gas entropy in
solution, but it is not the only possibility because there is no
unique way to allocate entropy to each molecule in the solution, as
Raphael Ribeiro (9 Dec) and Mike Gilson (11 Dec) have already pointed
out.

This can be made clear by considering the example of water dissolved
in water (use D2O if you prefer to have labels and ignoring the fact
that it would form HOD). If you assign this solute water the ideal-gas
entropy (~129 J/K/mol at 298 K for water at the density of liquid
water), then the entropy of the surrounding water molecules is reduced
due to excluded volume by the solute, as is the common practice. This
ensures that the total entropy of the solution equals that of bulk
water. Another possibility is to give the solute water molecule the
same entropy of all the other water molecules i.e. less than the gas
phase (~70 J/K/mol at 298 K). How one could calculate such an entropy
I have shown in some recent publications on water:
http://link.aip.org/link/?JCP/126/064504 and a quantised version
http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/2008/112/i32/abs/jp0737303.html

These same ideas would apply to any solute, not just a solute water
molecule. The solute would have lower entropy than the ideas-gas value
due to confinement by the solvent. The solute takes all possible
positions and orientations but its freedom is still constrained by
where the other solvent molecules are. If this seems
counter-intuitive, it is only because the dimensionality of 3N-space is
so large. One could even consider a case intermediate between the
confined solute and the ideal-gas solute. In any case, whichever
solution model one uses, the solute and solvent entropy must add up to
give the total entropy of the solution. I think a number of
contributors to this discussion are right to question whether current
solvation models do this.

A few other comments: Andreas Klamt is correct to emphasise that the
ideal-gas entropy should be 3k/2 and not 5k/2 because the entropy
relates to a single molecule. However, I am not convinced by the
statement that "the solvent definitely reduces the motional (kinetic)
phase space". That amounts to saying that the solvent is at a lower
temperature. Ignoring quantum effects, which I believe to be small
(based on my second publication given above), the momentum partition
functions should be very similar.

Richard Henchman


__
Dr Richard H Henchman
The University of Manchester
http://personalpages.manchester.ac.uk/staff/henchman/


From owner-chemistry@ccl.net Tue Dec 16 12:59:00 2008
From: "Emilio =?ISO-8859-1?Q?Jos=E9_Ju=E1rez_P=E9rez?= ejjuarez|*|icmab.es" <owner-chemistry^server.ccl.net>
To: CCL
Subject: CCL: Nitroethane crystal structure
Message-Id: <-38310-081216123126-29205-aMOuE/hDbfYqLlMe5JkzbA^server.ccl.net>
X-Original-From: Emilio =?ISO-8859-1?Q?Jos=E9_Ju=E1rez_P=E9rez?= <ejjuarez]![icmab.es>
Content-Transfer-Encoding: 8bit
Content-Type: text/plain; charset=utf-8
Date: Tue, 16 Dec 2008 16:32:38 +0100
Mime-Version: 1.0


Sent to CCL by: Emilio =?ISO-8859-1?Q?Jos=E9_Ju=E1rez_P=E9rez?= [ejjuarez:-:icmab.es]
Hello,

Maybe I dont understand very well the question but the crystal
structures in the Cambridge Structural Database with refcodes : DAKROW,
DITGUI, DOJZOR, PIKHUM, QALNUK, TAXKUY, ZZZUXO and ZZZUXY contains
nitroethane as estructural solvent.


El lun, 15-12-2008 a las 18:49 -0500, Oscar U Ojeda
oscar.ojeda{=}chemail.tamu.edu escribió:
> Sent to CCL by: "Oscar U Ojeda" [oscar.ojeda~~chemail.tamu.edu]
> Dear CCL peers;
> For some reason, the crystal structure of this solvent (EtNO2) seems to escape from traditional (ISI, CCSD, etc.) resource hits. I would appreciate any pointers.
> Cheers
> Oscar> 

________________________________________________________________________

Emilio José Juárez-Pérez
PhD Student
ICMAB-CSIC
Campus UAB
08193 Bellaterra (Barcelona) Spain.
ejjuarez::icmab.es
http://www.emiliojuarez.es
Tel.    + 34 93 580 1853 (ext. 255)
Fax    + 34 93 580 5729

________________________________________________________________________


From owner-chemistry@ccl.net Tue Dec 16 14:07:00 2008
From: "Nicholas Labello label030++umn.edu" <owner-chemistry() server.ccl.net>
To: CCL
Subject: CCL: Millsian 1.0
Message-Id: <-38311-081216133450-4406-/1DyB9xGAi07deKEs3jwxg() server.ccl.net>
X-Original-From: Nicholas Labello <label030|,|umn.edu>
Content-Transfer-Encoding: 7bit
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Date: Tue, 16 Dec 2008 12:05:09 -0600
MIME-Version: 1.0


Sent to CCL by: Nicholas Labello [label030[#]umn.edu]
The theories that drive that program are not accepted by the greater 
scientific community (or any scientific community that I am aware of).  
The company (Black Light Power and/or Millsian, Inc.) posted a job offer 
on the CCL list a few months ago and I looked into it a bit.  After some 
reading I became convinced that the program you asked about and parent 
companies are in the absolute best light founded on misguided scientific 
principles and at worst are simply fraudulent.  Stay away from it.   
Please see the "controversy" section in the following wiki:  
http://en.wikipedia.org/wiki/Hydrino

Nick



Antonio G. De Crisci antonio.decrisci ~ utoronto.ca wrote:
> Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci-.-utoronto.ca]
> Hello All,
>
> Has anybody used this program found at the link below?
>
> http://www.millsian.com/
>
> Its still in development, but I like the idea of not using super computer for large system. It doesnt use the laws of QM, but yet is able to predict properties of organic molecules quite accurately using classical physics?
>
> Anthony>
>
>


From owner-chemistry@ccl.net Tue Dec 16 15:46:00 2008
From: "Oscar Oscar.Ojeda*o*chemail.tamu.edu" <owner-chemistry]=[server.ccl.net>
To: CCL
Subject: CCL: Nitroethane crystal structure
Message-Id: <-38312-081216153859-2872-lph1d/9M5cpjiJA+e9QFsw]=[server.ccl.net>
X-Original-From: Oscar <Oscar.Ojeda],[chemail.tamu.edu>
Content-Type: multipart/alternative;
 boundary="------------050707020609030803050700"
Date: Tue, 16 Dec 2008 14:00:43 -0600
MIME-Version: 1.0


Sent to CCL by: Oscar [Oscar.Ojeda(!)chemail.tamu.edu]
This is a multi-part message in MIME format.
--------------050707020609030803050700
Content-Type: text/plain; charset=UTF-8; format=flowed
Content-Transfer-Encoding: 8bit

Hi Emilio
Thanks for your email. I'm looking for the actual nitroethane crystal 
structure ,by itself.
Best
Oscar


Emilio José Juárez Pérez ejjuarez|*|icmab.es wrote:
> Sent to CCL by: Emilio =?ISO-8859-1?Q?Jos=E9_Ju=E1rez_P=E9rez?= [ejjuarez:-:icmab.es]
> Hello,
>
> Maybe I dont understand very well the question but the crystal
> structures in the Cambridge Structural Database with refcodes : DAKROW,
> DITGUI, DOJZOR, PIKHUM, QALNUK, TAXKUY, ZZZUXO and ZZZUXY contains
> nitroethane as estructural solvent.
>
>
> El lun, 15-12-2008 a las 18:49 -0500, Oscar U Ojeda
> oscar.ojeda{=}chemail.tamu.edu escribió:
>   
>> Sent to CCL by: "Oscar U Ojeda" [oscar.ojeda~~chemail.tamu.edu]
>> Dear CCL peers;
>> For some reason, the crystal structure of this solvent (EtNO2) seems to escape from traditional (ISI, CCSD, etc.) resource hits. I would appreciate any pointers.
>> Cheers
>> Oscar> 
>>     
>
> ________________________________________________________________________
>
> Emilio José Juárez-Pérez
> PhD Student
> ICMAB-CSIC
> Campus UAB
> 08193 Bellaterra (Barcelona) Spain.
> ejjuarez::icmab.es
> http://www.emiliojuarez.es
> Tel.    + 34 93 580 1853 (ext. 255)
> Fax    + 34 93 580 5729
>
> ________________________________________________________________________>
>
>
>
>
>
>   


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<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
  <meta content="text/html;charset=UTF-8" http-equiv="Content-Type">
  <title></title>
</head>
<body bgcolor="#ffffff" text="#000000">
Hi Emilio<br>
Thanks for your email. I'm looking for the actual nitroethane crystal
structure ,by itself.<br>
Best<br>
Oscar<br>
<br>
<br>
Emilio José Juárez Pérez ejjuarez|*|icmab.es wrote:
<blockquote
 cite="mid:-id%234pf-38310-081216123126-29205-hXK9gq9tkMHHpzy6TvlSpA * server.ccl.net"
 type="cite">
  <pre wrap="">Sent to CCL by: Emilio =?ISO-8859-1?Q?Jos=E9_Ju=E1rez_P=E9rez?= [ejjuarez:-:icmab.es]
Hello,

Maybe I dont understand very well the question but the crystal
structures in the Cambridge Structural Database with refcodes : DAKROW,
DITGUI, DOJZOR, PIKHUM, QALNUK, TAXKUY, ZZZUXO and ZZZUXY contains
nitroethane as estructural solvent.


El lun, 15-12-2008 a las 18:49 -0500, Oscar U Ojeda
oscar.ojeda{=}chemail.tamu.edu escribió:
  </pre>
  <blockquote type="cite">
    <pre wrap="">Sent to CCL by: "Oscar U Ojeda" [oscar.ojeda~~chemail.tamu.edu]
Dear CCL peers;
For some reason, the crystal structure of this solvent (EtNO2) seems to escape from traditional (ISI, CCSD, etc.) resource hits. I would appreciate any pointers.
Cheers
Oscar&gt; 
    </pre>
  </blockquote>
  <pre wrap=""><!---->
________________________________________________________________________

Emilio José Juárez-Pérez
PhD Student
ICMAB-CSIC
Campus UAB
08193 Bellaterra (Barcelona) Spain.
ejjuarez::icmab.es
<a class="moz-txt-link-freetext" href="http://www.emiliojuarez.es">http://www.emiliojuarez.es</a>
Tel.    + 34 93 580 1853 (ext. 255)
Fax    + 34 93 580 5729

________________________________________________________________________E-mail to subscribers: <a class="moz-txt-link-abbreviated" href="mailto:CHEMISTRY * ccl.net">CHEMISTRY * ccl.net</a> or use:
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  </pre>
</blockquote>
<br>
</body>
</html>

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From owner-chemistry@ccl.net Tue Dec 16 16:27:01 2008
From: "Antonio G. De Crisci antonio.decrisci+*+utoronto.ca" <owner-chemistry%%server.ccl.net>
To: CCL
Subject: CCL: Millsian 1.0
Message-Id: <-38313-081216162458-22222-uP6aqdJraeWRpjFrLF0hqg%%server.ccl.net>
X-Original-From: "Antonio G. De Crisci" <antonio.decrisci^utoronto.ca>
Date: Tue, 16 Dec 2008 16:24:53 -0500


Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci . utoronto.ca]
Thanks for the warning, Nicholas! After a bit more background research and speaking to some of my colleagues, it seems I stumbled upon the tip of the iceberg with this program; I was not aware of the controversy behind the program and its creator(s), until today! 

Anthony


> "Nicholas Labello label030++umn.edu"  wrote:
> 
> Sent to CCL by: Nicholas Labello [label030[#]umn.edu]
> The theories that drive that program are not accepted by the greater 
> scientific community (or any scientific community that I am aware of).  
> The company (Black Light Power and/or Millsian, Inc.) posted a job offer 
> on the CCL list a few months ago and I looked into it a bit.  After some 
> reading I became convinced that the program you asked about and parent 
> companies are in the absolute best light founded on misguided scientific 
> principles and at worst are simply fraudulent.  Stay away from it.   
> Please see the "controversy" section in the following wiki:  
> http://en.wikipedia.org/wiki/Hydrino
> 
> Nick
> 
> 
> 
> Antonio G. De Crisci antonio.decrisci ~ utoronto.ca wrote:
> > Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci-.-utoronto.ca]
> > Hello All,
> >
> > Has anybody used this program found at the link below?
> >
> > http://www.millsian.com/
> >
> > Its still in development, but I like the idea of not using super computer for large system. It doesnt use the laws of QM, but yet is able to predict properties of organic molecules quite accurately using classical physics?
> >
> > Anthony>
> >
> >
> 
>


From owner-chemistry@ccl.net Tue Dec 16 19:22:00 2008
From: "Brian Salter-Duke brian.james.duke~~gmail.com" <owner-chemistry-*-server.ccl.net>
To: CCL
Subject: CCL: Millsian 1.0
Message-Id: <-38314-081216175317-29421-VQwyohoX4zQ0rJHxivgiLQ-*-server.ccl.net>
X-Original-From: Brian Salter-Duke <brian.james.duke(~)gmail.com>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Date: Wed, 17 Dec 2008 09:52:56 +1100
MIME-Version: 1.0


Sent to CCL by: Brian Salter-Duke [brian.james.duke-#-gmail.com]
Nicholas Labello label030++umn.edu wrote:
> 
> Sent to CCL by: Nicholas Labello [label030[#]umn.edu]
> The theories that drive that program are not accepted by the greater 
> scientific community (or any scientific community that I am aware of).  
> The company (Black Light Power and/or Millsian, Inc.) posted a job offer 
> on the CCL list a few months ago and I looked into it a bit.  After some 
> reading I became convinced that the program you asked about and parent 
> companies are in the absolute best light founded on misguided scientific 
> principles and at worst are simply fraudulent.  Stay away from it.   
> Please see the "controversy" section in the following wiki:  
> http://en.wikipedia.org/wiki/Hydrino
> 
> Nick

I agree that this program is "not accepted by the greater scientific 
community (or any scientific community that I am aware of)". They do 
appear to be misguided. Nevertheless, I think we need to be clear why 
they appear to give such good results. I have been asked on wikipedia 
several times why there should not be an article on this program or a 
large section on it in one of the computational chemistry articles. 
There was an article but it was deleted at my suggestion. See 
http://en.wikipedia.org/wiki/Wikipedia:Articles_for_deletion/Millsian

Brian.

> 
> 
> Antonio G. De Crisci antonio.decrisci ~ utoronto.ca wrote:
>> Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci-.-utoronto.ca]
>> Hello All,
>>
>> Has anybody used this program found at the link below?
>>
>> http://www.millsian.com/
>>
>> Its still in development, but I like the idea of not using super 
>> computer for large system. It doesnt use the laws of QM, but yet is 
>> able to predict properties of organic molecules quite accurately using 
>> classical physics?
>>
>> Anthonyhttp://www.ccl.net/chemistry/sub_unsub.shtmlConferences: 
> http://server.ccl.net/chemistry/announcements/conferences/> 
> 
>


From owner-chemistry@ccl.net Tue Dec 16 20:42:01 2008
From: "Alex Rudn rudikk99]=[yahoo.com" <owner-chemistry!A!server.ccl.net>
To: CCL
Subject: CCL:G: solvent influence
Message-Id: <-38315-081216204104-2911-OEzXQysQi+6tTPYIvgvH5Q!A!server.ccl.net>
X-Original-From: "Alex  Rudn" <rudikk99++yahoo.com>
Date: Tue, 16 Dec 2008 20:41:00 -0500


Sent to CCL by: "Alex  Rudn" [rudikk99**yahoo.com]
Dear CClers, 

I want to compare mechanism of reaction in polar and nonpolar solvents. From experiments I know that in polar solvent we have 2 products while in nonpolar only one. 

for polar file I run

%chk=CH3F_PS.chk
%mem=6MW
%nproc=1
# hf/3-21g freq=noraman

Title Card Required

0 1
 C
 H                  1              B1
 H                  1              B2    2              A1
 H                  1              B3    2              A2    3              D1
 F                  1              B4    4              A3    2              D2

   B1             1.07000000
   B2             1.07000000
   B3             1.07000000
   B4             1.35000000
   A1           109.47125080
   A2           109.47121829
   A3           109.47123134
   D1          -120.00001416
   D2           119.99998297

 1 2 1.0 3 1.0 4 1.0 5 1.0
 2
 3
 4
 5

--Link1--
%chk=CH3F_PS
# hf/3-21g SCF=Tight guess=read Geom=allCheck SCRF=(IPCM,Solvent=dichloromethane)


for nonpolar solvent I run 

%chk=CH3F_PS.chk
%mem=6MW
%nproc=1
# hf/3-21g freq=noraman

Title Card Required

0 1
 C
 H                  1              B1
 H                  1              B2    2              A1
 H                  1              B3    2              A2    3              D1
 F                  1              B4    4              A3    2              D2

   B1             1.07000000
   B2             1.07000000
   B3             1.07000000
   B4             1.35000000
   A1           109.47125080
   A2           109.47121829
   A3           109.47123134
   D1          -120.00001416
   D2           119.99998297

 1 2 1.0 3 1.0 4 1.0 5 1.0
 2
 3
 4
 5

--Link1--
%chk=CH3F_PS
# hf/3-21g SCF=Tight guess=read Geom=allCheck SCRF=(IPCM,Solvent=toluene)


With this type of input file for Gaussian I've got 
same Sum of electronic and thermal Enthalpies=            -138.232041
and also I've got very similar summary 

Convergence Achieved.
 1|1|UNPC-UNK|SP|RHF|3-21G|C1H3F1|PCUSER|16-Dec-2008|0||# HF/3-21G SCF=
 TIGHT GUESS=READ GEOM=ALLCHECK SCRF=(IPCM,SOLVENT=DICHLOROMETHANE)||Ti
 tle Card Required||0,1|C|H,1,1.07|H,1,1.07,2,109.47122063|H,1,1.07,2,1
 09.47122063,3,-120.00001416,0|F,1,1.35,4,109.47122063,2,119.99998297,0
 ||Version=x86-Win32-G03RevB.03|State=1-A1|HF=-138.286468|RMSD=6.712e-0
 10|Dipole=0.466651,0.8082633,0.3298883|PG=C03V [C3(C1F1),3SGV(H1)]|| . 

Convergence Achieved.
 1|1|UNPC-UNK|SP|RHF|3-21G|C1H3F1|PCUSER|16-Dec-2008|0||# HF/3-21G SCF=
 TIGHT GUESS=READ GEOM=ALLCHECK SCRF=(IPCM,SOLVENT=TOLUENE)||Title Card
  Required||0,1|C|H,1,1.07|H,1,1.07,2,109.47122063|H,1,1.07,2,109.47122
 063,3,-120.00001416,0|F,1,1.35,4,109.47122063,2,119.99998297,0||Versio
 n=x86-Win32-G03RevB.03|State=1-A1|HF=-138.286468|RMSD=6.712e-010|Dipol
 e=0.466651,0.8082633,0.3298883|PG=C03V [C3(C1F1),3SGV(H1)]|| . 


And I've got similar results when I compare polar and nonpolar solvent calculations with both stable compound and transitional states. Am I looking at the wrong place? There must be energy difference otherwise how to explain different products with different solvents. At what energy should I look? 

Any answers are very welcome! Thank you very much in advance.  

P.S. happy holidays! 

Alex