From owner-chemistry@ccl.net Tue Apr 21 07:23:01 2015 From: "Guegan Frederic frederic.guegan-x-ens-lyon.fr" To: CCL Subject: CCL:G: D95V and DZP Basis set on G09 Message-Id: <-51287-150421055623-30195-k9aUYcmZuShhah2aQDgdxA#%#server.ccl.net> X-Original-From: Guegan Frederic Content-Type: multipart/alternative; boundary="=_c5bbecea4798b81c59851d815f45d009" Date: Tue, 21 Apr 2015 11:55:57 +0200 MIME-Version: 1.0 Sent to CCL by: Guegan Frederic [frederic.guegan/./ens-lyon.fr] --=_c5bbecea4798b81c59851d815f45d009 Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=UTF-8 Hi Henrique, I cannot find the "DZP" basis set in Gaussian ; you may find the list on their website (which is rather complete, by the way) : http://www.gaussian.com/g_tech/g_ur/m_basis_sets.htm I also checked in the ORCA manual, and I think (though I'm not completely sure) that the basis set "Dunning-DZP" is what you look for. Best regards, Fred --- Frédéric Guégan _Doctorant_ Equipe Cristallographie et Ingénierie Moléculaire (CIM) Laboratoire des Multimatériaux et Interfaces (UMR CNRS/UCBL) - VILLEURBANNE Equipe Chimiométrie et Modélisation (CHEMOD) Institut des Sciences Analytiques de Lyon (UMR CNRS/UCBL/ENS) - VILLEURBANNE http://modelisa.univ-lyon1.fr/guegan.html Le 2015-04-19 16:21, Henrique C. S. Junior henriquecsj^^gmail.com a écrit : > Hi, I'm trying to reproduce results from some papers (Broken Symmetry in Cu complexes). > Most of the time, I'm working with ORCA, but now I'm using G09 because I was unable to determine if ORCA has available the Basis Set D95V (or equivalent). > I'm receiving a syntax error in G09 when I try to use the Basis Set DZP for Cu: > > C H N O Cl 0 > 6-31G(d) > **** > Cu 0 > DZP > **** > > Cu 0 > > DZP > > Has any of you worked with DZP in G09? What is the correct syntax? > > Thank you in advance. > > --- > HENRIQUE C. S. JUNIOR > Químico Industrial - UFRRJ > Mestrando em Química Inorgânica - UFRRJ > Centro de Processamento de Dados - PMP --=_c5bbecea4798b81c59851d815f45d009 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=UTF-8

Hi Henrique,

I cannot find the "DZP" basis set in Gaussian ; you may find the list on= their website (which is rather complete, by the way) :

http://www.gaussian.com/g_tech/g_ur/m_basis_sets.htm

I also checked in the ORCA manual, and I think (though I'm not completel= y sure) that the basis set "Dunning-DZP" is what you look for.

 

Best regards,

Fred

---

Frédéric Guégan
<= em>Doctorant
Equipe Cristallographie et Ingénierie M= oléculaire (CIM)
Laboratoire des Multimatér= iaux et Interfaces (UMR CNRS/UCBL) - VILLEURBANNE

Equipe = Chimiométrie et Modélisation (CHEMOD)
Institut des Scien= ces Analytiques de Lyon (UMR CNRS/UCBL/ENS) - VILLEURBANNE

http://modelisa.univ-lyon1= =2Efr/guegan.html

Le 2015-04-19 16:21, Henrique C. S. Junior henriquecsj^^gmail.com a &eac= ute;crit :

Hi, I'm trying to reproduce results from some p= apers (Broken Symmetry in Cu complexes).
Most of the time, I'm working with ORCA, but no= w I'm using G09 because I was unable to determine if ORCA has available the= Basis Set D95V (or equivalent).
I'm receiving a syntax error in G09 when I try = to use the Basis Set DZP for Cu:
 
C H N O Cl 0
6-31G(d)
****
Cu 0
DZP
****
 
Cu 0
 
DZP
 
Has any of you worked with DZP in G09? What is = the correct syntax?
 
Thank you in advance.
 
 
---
Henrique C. S. Juni= or
Químico Industrial - UFRRJ
Mestrando em Química Inorg= ânica - UFRRJ
Centro de Processamento de Dados - PMP
--=_c5bbecea4798b81c59851d815f45d009-- From owner-chemistry@ccl.net Tue Apr 21 07:57:00 2015 From: "Salter-Duke, Brian James - brian.james.duke_-_gmail.com" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51288-150420223106-22804-4zD1IvDnHVA7hXWtGT4Xhw(~)server.ccl.net> X-Original-From: "Salter-Duke, Brian James -" Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=iso-8859-1 Date: Tue, 21 Apr 2015 12:30:55 +1000 MIME-Version: 1.0 Sent to CCL by: "Salter-Duke, Brian James -" [brian.james.duke,+,gmail.com] Hi Jan, Does Gaussian Inc contribute any funds to CCL? If not, I think they should as it is used as the main Gaussian support email list. Most other programs, e.g. GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help each other and attract the attention of the developers. I support a very inactive list for VB2000. I do not believe Gaussian has such a list. Actually I believe many users think there is such a list and it is called the CCL. If they do not contribute any funds to CCL, I hope this shames them into doing so. Cheers, Brian. On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: > > Sent to CCL by: janl%%speakeasy.net > Dear CCL, > This is an infrequent message from the CCL Administrator about supporting CCL. I am quite inspired with the recent fund drive for my local Columbus OH NPR radio station that was supposedly successful (Oh yes, I am a member...). Maybe it is the spring in the Northern Hemisphere that makes these bursts of benevolent reflexes in people (but not animals...)? But I am probably more inspired by the abysmal state of CCL support. Of course, CCL is free for most of you, but not necessarily for me. It is getting actually more and more taxing on my time due to the state of Internet, and the email in particular. Lucky you, who do not have their email address displayed on the Web for more than 20 years. > > At this point, the banners on the CCL Home page will soon disappear beside one. They are 1000 USD for a year or 2000 USD for 3 years. From what I hear, they are successful, they bring the traffic to the banner site, and they do help. And bring good publicity. Encourage your marketing people to put the banner on CCL. It works, and it will also help me to cope with CCL expenses. > > There are other ways to support CCL: > 1) Advertise the open positions on CCL >    Details: http://www.ccl.net/jobs >    This service is VERY successful if you look to fill the comp >    chem or related position. People tell me that they find >    a suitable candidate often in days. Of course, some do not >    find the candidates that fast, but it depends on the job >    description. The ads have counters, so you can see that they >    are visited. With fall approaching the time to find a candidate >    is now. > > 2) Buy the DVD archive of CCL for your group for 250 USD. >    http://www.ccl.net/cgi-bin/ccl/buy_dvd >    You can grep and do things like: >      find . -type f -exec grep -li gamess {} \; >    and find stuff that Google will not show. And in case >    of me getting incapacitated or senile (maybe I am already ther?), >    the CCL will survive better than other computational chemistry >    repositories. Someone will have a copy of it. > > 3) You can also be a personal sponsor. >    http://www.ccl.net/cgi-bin/ccl/supporting_members >    For two weeks of Starbucks your web site can be popular. >    BTW, if you do not have kids and amassed a billion dollars, >    give a chunk to CCL... I will take it... I did not yet hear about >    anyone getting rich off Computational Chemistry, but what do >    I know? > > 4) You can advertise your conferences and workshops. >    This service is free but I do not shy if you help me >    with 50 USD donation: >    http://www.ccl.net/chemistry/announcements/conferences/ > > Of course, you can help financially - this is the "capital budget" for CCL and you all understand that there is no free lunch. The operation of CCL is you, though, with your thoughtful questions, answers and comments, your contributions to CCL archives, and your staying with CCL and participating. Look... It runs since 1991 and still has participants... Amazing... Some grad students were born after CCL started... > > Thank you all for being a part of CCL. > Jan > -- > Jan Labanowski > jkl%a%ccl.net and other addresses> -- Brian Salter-Duke (Brian Duke) Brian.Salter-Duke|a|monash.edu Adjunct Associate Professor Monash Institute of Pharmaceutical Sciences Monash University Parkville Campus, VIC 3052, Australia From owner-chemistry@ccl.net Tue Apr 21 08:32:00 2015 From: "Jacob Schneidewind Jacob.Schneidewind],[gmail.com" To: CCL Subject: CCL:G: Problem Using GenECP and Split Density Fitting Sets in Gaussian 09 Message-Id: <-51289-150421052418-28586-/ClgjQnSvqEoLb6EasxW2g-#-server.ccl.net> X-Original-From: "Jacob Schneidewind" Date: Tue, 21 Apr 2015 05:24:17 -0400 Sent to CCL by: "Jacob Schneidewind" [Jacob.Schneidewind * gmail.com] Dear CCL Community, I am having a problem using the GenECP keyword together with split Density Fitting Sets in Gaussian 09. I am trying to do a single point calculation for a ruthenium complex using QZVP (and corresponding ECP) for Ruthenium and TZVP for all other atoms. Furthermore, I would like to use the QZVP fitting set for Ruthenium and TZVPFit for all other atoms. I have successfully run a calculation using the QZVP (with ECP) and TZVP basis sets with one density fitting set for all atoms. Furthermore, a calculation with QZVP (without ECP), TZVP, QZVP fitting set for Ruthenium and TZVPFit for all other atoms was also successful. However, all of my attempts to run a calculation with QZVP (with ECP), TZVP, QZVP fitting set for Ru and TZVPFit for all other atoms failed. Below you can find my input file for this calculation as well as the resulting error. I would greatly appreciate any suggestions on how to resolve this problem. Thank you very much. Best Regards, Jacob Input: %nprocshared=40 %mem=4000MB %chk=3-H20-TQ-M06L-TQFitSet.chk # M06L/genecp/gen geom=connectivity Title Card Required 0 1 N 1.02234810 0.85366612 -0.04711534 C 2.32450472 0.49013541 -0.18482858 C 0.66612352 2.16464972 0.01856097 C 3.34269398 1.44755809 -0.20433302 C 2.99602904 2.80257710 -0.12829882 C 1.64773877 3.16468122 -0.03239421 C 2.53064527 -0.98349709 -0.44251056 H 4.38069724 1.13642530 -0.29936418 H 3.76851277 3.56888190 -0.15146333 H 1.35248842 4.21020836 0.01641006 C -0.81004753 2.44244552 0.17181191 N 1.53719548 -1.81943926 0.30965997 H 3.56253176 -1.30023570 -0.21912881 H 2.29435276 -1.15130728 -1.50392710 H -1.05058546 2.52734881 1.24452489 P -1.81297021 0.96318123 -0.42422693 H -1.09213844 3.38386093 -0.31944737 Ru -0.38090363 -0.72673685 -0.03723301 C 1.90900991 -1.89998526 1.74760423 C -3.42355512 1.20524303 0.44881411 C 1.50963748 -3.17866923 -0.29822326 C -2.21765528 1.36163460 -2.18875348 H -3.21189609 1.24302409 1.52347381 H -4.08142709 0.35512727 0.23488337 H -3.91549214 2.13423658 0.13225980 H -1.29252287 1.28363778 -2.77017316 H -2.66257285 2.35959626 -2.29670544 H -2.92248816 0.61077262 -2.56641042 C -1.63726961 -2.08173415 0.02704753 O -2.45639919 -2.93018171 0.09089204 O 0.23860300 -0.91228936 -2.07777183 H -0.48195424 -1.35637719 -2.55628139 H -0.55873722 -0.59854240 1.60057000 H 1.94304062 -0.88918958 2.16395454 H 2.89169614 -2.38920829 1.86765880 H 1.14026726 -2.46921027 2.27658664 H 1.16289180 -3.06019289 -1.32966365 H 0.80658266 -3.79889231 0.26526954 H 2.51133953 -3.64126945 -0.27109926 O -1.34994603 1.24449992 3.14325190 H -1.95925180 0.77250251 3.73660206 H -1.03301958 0.53145321 2.52735664 1 2 1.5 3 1.5 18 1.0 2 4 2.0 7 1.0 3 6 1.5 11 1.0 4 5 1.5 8 1.0 5 6 1.5 9 1.0 6 10 1.0 7 12 1.0 13 1.0 14 1.0 8 9 10 11 15 1.0 16 1.0 17 1.0 12 18 1.0 19 1.0 21 1.0 13 14 15 40 0.5 16 18 1.0 20 1.0 22 1.0 17 18 29 1.0 31 1.0 33 1.0 19 34 1.0 35 1.0 36 1.0 20 23 1.0 24 1.0 25 1.0 21 37 1.0 38 1.0 39 1.0 22 26 1.0 27 1.0 28 1.0 23 24 25 26 27 28 29 30 3.0 30 31 32 1.0 32 33 42 0.5 34 35 36 37 38 39 40 41 1.0 42 1.0 41 42 C H N O P 0 TZVP **** Ru 0 S 3 1.00 15.000000000 0.40205707045 13.500000000 -0.59417167365 7.2130868530 0.12541032854 S 1 1.00 4.5405901225 1.0000000 S 1 1.00 1.1904973723 1.0000000 S 1 1.00 0.54307531590 1.0000000 S 1 1.00 0.13700563039 1.0000000 S 1 1.00 0.73396375028E-01 1.0000000 S 1 1.00 0.31250715458E-01 1.0000000 P 4 1.00 11.388100061 0.55871461629E-01 6.1591005666 -0.25808446847 1.7320431063 0.42924265341 1.0194857402 0.43313353048 P 1 1.00 0.58131419111 1.0000000 P 1 1.00 0.27290530268 1.0000000 P 1 1.00 0.66000000000E-01 1.0000000 P 1 1.00 0.22000000000E-01 1.0000000 D 4 1.00 18.598247778 0.31556859652E-02 6.7883773752 -0.34551060293E-01 2.2470797667 0.21708566158 1.0884195428 0.42834135307 D 1 1.00 0.49787892886 1.0000000 D 1 1.00 0.21481968266 1.0000000 D 1 1.00 0.85666751170E-01 1.0000000 F 1 1.00 2.8246600 1.0000000 F 1 1.00 0.9431400 1.0000000 F 1 1.00 0.3149100 1.0000000 G 1 1.00 1.0093000 1.0000000 **** ! Elements References ! -------- ---------- ! Y-Cd(ecp-28), Hf-Hg(ecp-46): D. Andrae,U. Haeussermann, M.Dolg, H.Stoll, H.Preuss, Theor.Chim.Acta, 1990, 77, 123?141. ! In-Sb(ecp-28), Tl-Bi(ecp-46): B. Metz, H. Stoll, M. Dolg, J. Chem. Phys., 2000, 113, 2563?2569. ! Te-Xe(ecp-28), Po-Rn(ecp-46): K. A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg, J. Chem. Phys., 2003, 119, 11113?11123. ! Rb(ecp-28), Cs(ecp-46): T.Leininger, A.Nicklass, W.Kuechle, H.Stoll, M.Dolg, A.Bergner, Chem. Phys. Lett., 1996, 255, 274?280. ! Sr(ecp-28), Ba(ecp-46): M. Kaupp, P. V. Schleyer, H. Stoll and H. Preuss, J. Chem. Phys., 1991, 94, 1360?1366. ! RU 0 RU-ECP 3 28 f-ul potential 2 2 11.3600000 -28.34061627 2 5.6800000 -4.94462923 s-ul potential 4 2 11.1052693 209.82297122 2 5.4147454 30.65472642 2 11.3600000 28.34061627 2 5.6800000 4.94462923 p-ul potential 4 2 9.7712707 146.33618228 2 5.0739908 24.12787723 2 11.3600000 28.34061627 2 5.6800000 4.94462923 d-ul potential 4 2 7.6714231 67.51589667 2 4.1365647 9.87010415 2 11.3600000 28.34061627 2 5.6800000 4.94462923 **** ! here are the fitting sets C H N O P 0 TZVPFit **** Ru 0 QZVP **** Error/Output: Warning messages that there are no basis functions and no pseudo potentials for any of the centres Last two lines of output: Error termination in NtrErr: NtrErr Called from FileIO. From owner-chemistry@ccl.net Tue Apr 21 10:24:01 2015 From: "Heath Watts hdw115[*]psu.edu" To: CCL Subject: CCL:G: D95V and DZP Basis set on G09 Message-Id: <-51290-150421101222-6886-pzofHYUuoUsaVGNkCJ7vLw ~~ server.ccl.net> X-Original-From: Heath Watts Content-Type: multipart/alternative; boundary=001a113dd2544a000b05143ca2e9 Date: Tue, 21 Apr 2015 10:11:56 -0400 MIME-Version: 1.0 Sent to CCL by: Heath Watts [hdw115-$-psu.edu] --001a113dd2544a000b05143ca2e9 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Hi Henrique, You will find the DZP basis set for Cu here: https://bse.pnl.gov/bse/portal In the *Format* pull-down menu, which you will find below the left portion of the periodic table on the web site, make sure that you choose the Gaussian94 format. Best, Heath On Tue, Apr 21, 2015 at 5:55 AM, Guegan Frederic frederic.guegan-x-ens-lyon.fr wrote: > Hi Henrique, > > I cannot find the "DZP" basis set in Gaussian ; you may find the list on > their website (which is rather complete, by the way) : > > http://www.gaussian.com/g_tech/g_ur/m_basis_sets.htm > > I also checked in the ORCA manual, and I think (though I'm not completely > sure) that the basis set "Dunning-DZP" is what you look for. > > > > Best regards, > > Fred > --- > > *F*r=C3=A9d=C3=A9ric Gu=C3=A9gan > *Doctorant* > Equipe Cristallographie et Ing=C3=A9nierie Mol=C3=A9culaire (CIM) > Laboratoire des Multimat=C3=A9riaux et Interfaces (UMR CNRS/UCBL) - VILLE= URBANNE > > Equipe Chimiom=C3=A9trie et Mod=C3=A9lisation (CHEMOD) > Institut des Sciences Analytiques de Lyon (UMR CNRS/UCBL/ENS) - > VILLEURBANNE > > http://modelisa.univ-lyon1.fr/guegan.html > > Le 2015-04-19 16:21, Henrique C. S. Junior henriquecsj^^gmail.com a > =C3=A9crit : > > Hi, I'm trying to reproduce results from some papers (Broken Symmetry in > Cu complexes). > Most of the time, I'm working with ORCA, but now I'm using G09 because I > was unable to determine if ORCA has available the Basis Set D95V (or > equivalent). > I'm receiving a syntax error in G09 when I try to use the Basis Set DZP > for Cu: > > C H N O Cl 0 > 6-31G(d) > **** > Cu 0 > DZP > **** > > Cu 0 > > DZP > > Has any of you worked with DZP in G09? What is the correct syntax? > > Thank you in advance. > > > --- > *Henrique C. S. Junior* > Qu=C3=ADmico Industrial - UFRRJ > Mestrando em Qu=C3=ADmica Inorg=C3=A2nica - UFRRJ > Centro de Processamento de Dados - PMP > > --001a113dd2544a000b05143ca2e9 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi Henrique,
You will find the DZP=C2=A0basis set for Cu here:
In the Format<= /i> pull-down menu, which you will find below the left portion of the perio= dic table on the web site, make sure that you choose the Gaussian94 format.=
Best,
= Heath

= On Tue, Apr 21, 2015 at 5:55 AM, Guegan Frederic frederic.guegan-x-ens-lyon.fr = <owner-chem= istry++ccl.net> wrote:

Hi Henrique,

I cannot find the "DZP" basis set in Gaussian ; you may find t= he list on their website (which is rather complete, by the way) :

http://www.gaussian.com/g_tech/g_ur/m_basis_sets.htm

I also checked in the ORCA manual, and I think (though I'm not compl= etely sure) that the basis set "Dunning-DZP" is what you look for= .

=C2=A0

Best regards,

Fred

---

Fr=C3=A9d=C3=A9ric Gu=C3=A9gan
Doctorant=
Equipe Cristallographie et Ing=C3=A9nierie Mol=C3=A9culaire = (CIM)
Laboratoire des Multimat=C3=A9riaux et Interfaces (UM= R CNRS/UCBL) - VILLEURBANNE

Equipe Chimiom=C3=A9trie et Mod= =C3=A9lisation (CHEMOD)
Institut des Sciences Analytiques de Lyon (UMR C= NRS/UCBL/ENS) - VILLEURBANNE

http://modelisa.univ-lyon1.fr/gueg= an.html

Le 2015-04-19 16:21, Henrique C. S. Junior henriquecsj^^gmail.com a =C3=A9crit=C2=A0:

Hi, I'm trying to reproduce results from some pa= pers (Broken Symmetry in Cu complexes).
Most of the time, I'm working with ORCA, but now= I'm using G09 because I was unable to determine if ORCA has available = the Basis Set D95V (or equivalent).
I'm receiving a syntax error in G09 when I try t= o use the Basis Set DZP for Cu:
=C2=A0
C H N O Cl 0
6-31G(d)
****
Cu 0
DZP
****
=C2=A0
Cu 0
=C2=A0
DZP
=C2=A0
Has any of you worked with DZP in G09? What is the c= orrect syntax?
=C2=A0
Thank you in advance.
=C2=A0
=C2=A0
---
Henrique C. S. Junior
Qu=C3=ADmico Industrial - UFR= RJ
Mestrando em Qu=C3=ADmica Inorg=C3=A2nic= a - UFRRJ
Centro de Processamento de Dados - PMP

--001a113dd2544a000b05143ca2e9-- From owner-chemistry@ccl.net Tue Apr 21 10:59:00 2015 From: "Jim Kress jimkress35,,gmail.com" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51291-150421102402-9597-2I38GdkHabJumuhrOs1j7A!^!server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="iso-8859-1" Date: Tue, 21 Apr 2015 10:23:49 -0400 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] Agree. Jim -----Original Message----- > From: owner-chemistry+jimkress35==gmail.com(-)ccl.net [mailto:owner-chemistry+jimkress35==gmail.com(-)ccl.net] On Behalf Of Salter-Duke, Brian James brian.james.duke_-_gmail.com Sent: Monday, April 20, 2015 10:31 PM To: Kress, Jim Subject: CCL:G: How are you feeling about making CCL prosperous? Sent to CCL by: "Salter-Duke, Brian James " [brian.james.duke,+,gmail.com] Hi Jan, Does Gaussian Inc contribute any funds to CCL? If not, I think they should as it is used as the main Gaussian support email list. Most other programs, e.g. GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help each other and attract the attention of the developers. I support a very inactive list for VB2000. I do not believe Gaussian has such a list. Actually I believe many users think there is such a list and it is called the CCL. If they do not contribute any funds to CCL, I hope this shames them into doing so. Cheers, Brian. On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: > > Sent to CCL by: janl%%speakeasy.net > Dear CCL, > This is an infrequent message from the CCL Administrator about supporting CCL. I am quite inspired with the recent fund drive for my local Columbus OH NPR radio station that was supposedly successful (Oh yes, I am a member...). Maybe it is the spring in the Northern Hemisphere that makes these bursts of benevolent reflexes in people (but not animals...)? But I am probably more inspired by the abysmal state of CCL support. Of course, CCL is free for most of you, but not necessarily for me. It is getting actually more and more taxing on my time due to the state of Internet, and the email in particular. Lucky you, who do not have their email address displayed on the Web for more than 20 years. > > At this point, the banners on the CCL Home page will soon disappear beside one. They are 1000 USD for a year or 2000 USD for 3 years. From what I hear, they are successful, they bring the traffic to the banner site, and they do help. And bring good publicity. Encourage your marketing people to put the banner on CCL. It works, and it will also help me to cope with CCL expenses. > > There are other ways to support CCL: > 1) Advertise the open positions on CCL >    Details: http://www.ccl.net/jobs >    This service is VERY successful if you look to fill the comp >    chem or related position. People tell me that they find >    a suitable candidate often in days. Of course, some do not >    find the candidates that fast, but it depends on the job >    description. The ads have counters, so you can see that they >    are visited. With fall approaching the time to find a candidate >    is now. > > 2) Buy the DVD archive of CCL for your group for 250 USD. >    http://www.ccl.net/cgi-bin/ccl/buy_dvd >    You can grep and do things like: >      find . -type f -exec grep -li gamess {} \; >    and find stuff that Google will not show. And in case >    of me getting incapacitated or senile (maybe I am already ther?), >    the CCL will survive better than other computational chemistry >    repositories. Someone will have a copy of it. > > 3) You can also be a personal sponsor. >    http://www.ccl.net/cgi-bin/ccl/supporting_members >    For two weeks of Starbucks your web site can be popular. >    BTW, if you do not have kids and amassed a billion dollars, >    give a chunk to CCL... I will take it... I did not yet hear about >    anyone getting rich off Computational Chemistry, but what do >    I know? > > 4) You can advertise your conferences and workshops. >    This service is free but I do not shy if you help me >    with 50 USD donation: >    http://www.ccl.net/chemistry/announcements/conferences/ > > Of course, you can help financially - this is the "capital budget" for CCL and you all understand that there is no free lunch. The operation of CCL is you, though, with your thoughtful questions, answers and comments, your contributions to CCL archives, and your staying with CCL and participating. Look... It runs since 1991 and still has participants... Amazing... Some grad students were born after CCL started... > > Thank you all for being a part of CCL. > Jan > -- > Jan Labanowski > jkl%a%ccl.net and other addresses> -- Brian Salter-Duke (Brian Duke) Brian.Salter-Duke*_*monash.edu Adjunct Associate Professor Monash Institute of Pharmaceutical Sciences Monash University Parkville Campus, VIC 3052, Australiahttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Tue Apr 21 12:38:01 2015 From: "Chang, Christopher Christopher.Chang],[nrel.gov" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51292-150421105457-23166-CxYxVehmUy5TIDVFajM8hQ|a|server.ccl.net> X-Original-From: "Chang, Christopher" Content-Language: en-US Content-Type: multipart/signed; protocol="application/x-pkcs7-signature"; micalg=2.16.840.1.101.3.4.2.3; boundary="----=_NextPart_000_0000_01D07C10.CF9565E0" Date: Tue, 21 Apr 2015 14:54:42 +0000 MIME-Version: 1.0 Sent to CCL by: "Chang, Christopher" [Christopher.Chang/./nrel.gov] ------=_NextPart_000_0000_01D07C10.CF9565E0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable To be fair, upon visiting their website one can mouse over "Tech = Support," click on "More...," and be presented with quite a lot of information, including "Contacting Gaussian, Inc. Technical Support." Granted it's = not a mailing list, but their model allows them to ensure information is = correct as ways of doing things, keywords, etc. change. I don't think I've ever had a request for help ignored by Gaussian. I = can't say the same for mailing lists in general. CCL raises the bar though, = and is a fantastic resource. That DVD is intriguing... - Chris -----Original Message----- > From: owner-chemistry+christopher.chang=3D=3Dnrel.gov=ccl.net [mailto:owner-chemistry+christopher.chang=3D=3Dnrel.gov=ccl.net] On = Behalf Of Salter-Duke, Brian James brian.james.duke_-_gmail.com Sent: Monday, April 20, 2015 8:31 PM To: Chang, Christopher Subject: CCL:G: How are you feeling about making CCL prosperous? Sent to CCL by: "Salter-Duke, Brian James " [brian.james.duke,+,gmail.com] Hi Jan, Does Gaussian Inc contribute any funds to CCL? If not, I think they = should as it is used as the main Gaussian support email list. Most other = programs, e.g. GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to = help each other and attract the attention of the developers. I support a very inactive list for VB2000. I do not believe Gaussian has such a list. Actually I believe many users think there is such a list and it is = called the CCL. If they do not contribute any funds to CCL, I hope this shames = them into doing so. Cheers, Brian. On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: >=20 > Sent to CCL by: janl%%speakeasy.net > Dear CCL, > This is an infrequent message from the CCL Administrator about = supporting CCL. I am quite inspired with the recent fund drive for my local = Columbus OH NPR radio station that was supposedly successful (Oh yes, I am a = member...). Maybe it is the spring in the Northern Hemisphere that makes these = bursts of benevolent reflexes in people (but not animals...)? But I am probably = more inspired by the abysmal state of CCL support. Of course, CCL is free for most of you, but not necessarily for me. It is getting actually more and more taxing on my time due to the state of Internet, and the email in particular. Lucky you, who do not have their email address displayed on = the Web for more than 20 years.=20 >=20 > At this point, the banners on the CCL Home page will soon disappear = beside one. They are 1000 USD for a year or 2000 USD for 3 years. From what I = hear, they are successful, they bring the traffic to the banner site, and they = do help. And bring good publicity. Encourage your marketing people to put = the banner on CCL. It works, and it will also help me to cope with CCL = expenses. >=20 > There are other ways to support CCL: > 1) Advertise the open positions on CCL > =A0=A0 Details: http://www.ccl.net/jobs > =A0=A0 This service is VERY successful if you look to fill the comp > =A0=A0 chem or related position. People tell me that they find > =A0=A0 a suitable candidate often in days. Of course, some do not > =A0=A0 find the candidates that fast, but it depends on the job > =A0=A0 description. The ads have counters, so you can see that they > =A0=A0 are visited. With fall approaching the time to find a candidate > =A0=A0 is now.=20 >=20 > 2) Buy the DVD archive of CCL for your group for 250 USD.=20 > =A0=A0 http://www.ccl.net/cgi-bin/ccl/buy_dvd > =A0=A0 You can grep and do things like: > =A0=A0=A0=A0 find . -type f -exec grep -li gamess {} \; > =A0=A0 and find stuff that Google will not show. And in case > =A0=A0 of me getting incapacitated or senile (maybe I am already = ther?), > =A0=A0 the CCL will survive better than other computational chemistry > =A0=A0 repositories. Someone will have a copy of it.=20 >=20 > 3) You can also be a personal sponsor.=20 > =A0=A0 http://www.ccl.net/cgi-bin/ccl/supporting_members > =A0=A0 For two weeks of Starbucks your web site can be popular.=20 > =A0=A0 BTW, if you do not have kids and amassed a billion dollars, > =A0=A0 give a chunk to CCL... I will take it... I did not yet hear = about > =A0=A0 anyone getting rich off Computational Chemistry, but what do > =A0=A0 I know? >=20 > 4) You can advertise your conferences and workshops.=20 > =A0=A0 This service is free but I do not shy if you help me > =A0=A0 with 50 USD donation: > =A0=A0 http://www.ccl.net/chemistry/announcements/conferences/ >=20 > Of course, you can help financially - this is the "capital budget" for = CCL and you all understand that there is no free lunch. The operation of CCL = is you, though, with your thoughtful questions, answers and comments, your contributions to CCL archives, and your staying with CCL and = participating. Look... It runs since 1991 and still has participants... Amazing... Some grad students were born after CCL started...=20 >=20 > Thank you all for being a part of CCL.=20 > Jan > -- > Jan Labanowski > jkl%a%ccl.net and other addresses> --=20 Brian Salter-Duke (Brian Duke) Brian.Salter-Duke*_*monash.edu Adjunct Associate Professor Monash Institute of Pharmaceutical Sciences Monash University Parkville Campus, VIC 3052, Australia -=3D This is automatically added to each message by the mailing script = =3D-=look up = the X-Original-From: line in the mail header.http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20http://www.ccl.net/spammers.txt------=_NextPart_000_0000_01D07C10.CF9565E0 Content-Type: application/pkcs7-signature; name="smime.p7s" Content-Transfer-Encoding: base64 Content-Disposition: attachment; filename="smime.p7s" MIAGCSqGSIb3DQEHAqCAMIACAQExDzANBglghkgBZQMEAgMFADCABgkqhkiG9w0BBwEAAKCCEPww ggUGMIID7qADAgECAhBXKfoeDOBlmUbTpgqmuri0MA0GCSqGSIb3DQEBBQUAMD4xEzARBgoJkiaJ 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GpG0M3XvyE23Lt66V4tGpMSyS26Pb7TbXNn8CKDvtQDsGKfwGSLBJa1YXHDJ81+1wG+4p8mq0zY/ tQAAAAAAAA== ------=_NextPart_000_0000_01D07C10.CF9565E0-- From owner-chemistry@ccl.net Tue Apr 21 13:13:01 2015 From: "Brian Skinn bskinn~~alum.mit.edu" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51293-150421113248-13697-kAEBiMLp7edpIBtzYlPIgw++server.ccl.net> X-Original-From: Brian Skinn Content-Type: multipart/alternative; boundary=001a11c24118e7ff7605143dc13f Date: Tue, 21 Apr 2015 11:32:22 -0400 MIME-Version: 1.0 Sent to CCL by: Brian Skinn [bskinn=alum.mit.edu] --001a11c24118e7ff7605143dc13f Content-Type: text/plain; charset=UTF-8 Concur, as evidenced by the fact that questions regarding Gaussian often do not explicitly state that it is the software to which the question pertains; while those questions addressing other packages almost invariably lead with identification of the relevant software. -Brian On Tue, Apr 21, 2015 at 10:23 AM, Jim Kress jimkress35,,gmail.com < owner-chemistry*ccl.net> wrote: > > Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] > Agree. > > Jim > > -----Original Message----- > > From: owner-chemistry+jimkress35==gmail.com=ccl.net > [mailto:owner-chemistry+jimkress35==gmail.com=ccl.net] On Behalf Of > Salter-Duke, Brian James brian.james.duke_-_gmail.com > Sent: Monday, April 20, 2015 10:31 PM > To: Kress, Jim > Subject: CCL:G: How are you feeling about making CCL prosperous? > > > Sent to CCL by: "Salter-Duke, Brian James " > [brian.james.duke,+,gmail.com] Hi Jan, > > Does Gaussian Inc contribute any funds to CCL? If not, I think they should > as it is used as the main Gaussian support email list. Most other programs, > e.g. > GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help > each other and attract the attention of the developers. I support a very > inactive list for VB2000. I do not believe Gaussian has such a list. > Actually I believe many users think there is such a list and it is called > the CCL. If they do not contribute any funds to CCL, I hope this shames > them > into doing so. > > Cheers, Brian. > > > On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: > > > > Sent to CCL by: janl%%speakeasy.net > > Dear CCL, > > This is an infrequent message from the CCL Administrator about supporting > CCL. I am quite inspired with the recent fund drive for my local Columbus > OH > NPR radio station that was supposedly successful (Oh yes, I am a > member...). > Maybe it is the spring in the Northern Hemisphere that makes these bursts > of > benevolent reflexes in people (but not animals...)? But I am probably more > inspired by the abysmal state of CCL support. Of course, CCL is free for > most of you, but not necessarily for me. It is getting actually more and > more taxing on my time due to the state of Internet, and the email in > particular. Lucky you, who do not have their email address displayed on the > Web for more than 20 years. > > > > At this point, the banners on the CCL Home page will soon disappear > beside > one. They are 1000 USD for a year or 2000 USD for 3 years. From what I > hear, > they are successful, they bring the traffic to the banner site, and they do > help. And bring good publicity. Encourage your marketing people to put the > banner on CCL. It works, and it will also help me to cope with CCL > expenses. > > > > > There are other ways to support CCL: > > 1) Advertise the open positions on CCL > > Details: http://www.ccl.net/jobs > > This service is VERY successful if you look to fill the comp > > chem or related position. People tell me that they find > > a suitable candidate often in days. Of course, some do not > > find the candidates that fast, but it depends on the job > > description. The ads have counters, so you can see that they > > are visited. With fall approaching the time to find a candidate > > is now. > > > > 2) Buy the DVD archive of CCL for your group for 250 USD. > > http://www.ccl.net/cgi-bin/ccl/buy_dvd > > You can grep and do things like: > > find . -type f -exec grep -li gamess {} \; > > and find stuff that Google will not show. And in case > > of me getting incapacitated or senile (maybe I am already ther?), > > the CCL will survive better than other computational chemistry > > repositories. Someone will have a copy of it. > > > > 3) You can also be a personal sponsor. > > http://www.ccl.net/cgi-bin/ccl/supporting_members > > For two weeks of Starbucks your web site can be popular. > > BTW, if you do not have kids and amassed a billion dollars, > > give a chunk to CCL... I will take it... I did not yet hear about > > anyone getting rich off Computational Chemistry, but what do > > I know? > > > > 4) You can advertise your conferences and workshops. > > This service is free but I do not shy if you help me > > with 50 USD donation: > > http://www.ccl.net/chemistry/announcements/conferences/ > > > > Of course, you can help financially - this is the "capital budget" for > CCL > and you all understand that there is no free lunch. The operation of CCL is > you, though, with your thoughtful questions, answers and comments, your > contributions to CCL archives, and your staying with CCL and participating. > Look... It runs since 1991 and still has participants... Amazing... Some > grad students were born after CCL started... > > > > Thank you all for being a part of CCL. > > Jan > > -- > > Jan Labanowski > > jkl%a%ccl.net and other addresses> > > -- > Brian Salter-Duke (Brian Duke) Brian.Salter-Duke*_*monash.edu > Adjunct Associate Professor > Monash Institute of Pharmaceutical Sciences > Monash University Parkville Campus, VIC 3052, Australiahttp:// > www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt> > > --001a11c24118e7ff7605143dc13f Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Concur, as evidenced by the fact that questions regarding = Gaussian often do not explicitly state that it is the software to which the= question pertains; while those questions addressing other packages almost = invariably lead with identification of the relevant software.

-Brian

On Tue, Apr 21, 2015 at 10:23 AM, Jim Kress jimkress35,,gmail.com <owner-chemistry*ccl.net> wrote:

Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com]
Agree.

Jim

-----Original Message-----
> From: owner-chemistry+jimkress35=3D=3Dgmail.com=3Dccl.net
[mailto:owner-chemistry+jim= kress35=3D=3Dgmail.com=3Dccl.net] On Behalf Of=
Salter-Duke, Brian James=C2=A0 brian.james.duke_-_gmail.com
Sent: Monday, April 20, 2015 10:31 PM
To: Kress, Jim
Subject: CCL:G: How are you feeling about making CCL prosperous?


Sent to CCL by: "Salter-Duke, Brian James "
[brian.james.duke,+,gmail.com] Hi Jan,

Does Gaussian Inc contribute any funds to CCL? If not, I think they should<= br> as it is used as the main Gaussian support email list. Most other programs,=
e.g.
GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help=
each other and attract the attention of the developers. I support a very inactive list for VB2000. I do not believe Gaussian has such a list.
Actually I believe many users think there is such a list and it is called the CCL. If they do not contribute any funds to CCL, I hope this shames the= m
into doing so.

Cheers, Brian.


On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote:
>
> Sent to CCL by: janl%%speakeasy.net
> Dear CCL,
> This is an infrequent message from the CCL Administrator about support= ing
CCL. I am quite inspired with the recent fund drive for my local Columbus O= H
NPR radio station that was supposedly successful (Oh yes, I am a member...)= .
Maybe it is the spring in the Northern Hemisphere that makes these bursts o= f
benevolent reflexes in people (but not animals...)? But I am probably more<= br> inspired by the abysmal state of CCL support. Of course, CCL is free for most of you, but not necessarily for me. It is getting actually more and more taxing on my time due to the state of Internet, and the email in
particular. Lucky you, who do not have their email address displayed on the=
Web for more than 20 years.
>
> At this point, the banners on the CCL Home page will soon disappear be= side
one. They are 1000 USD for a year or 2000 USD for 3 years. From what I hear= ,
they are successful, they bring the traffic to the banner site, and they do=
help. And bring good publicity. Encourage your marketing people to put the<= br> banner on CCL. It works, and it will also help me to cope with CCL expenses= .

>
> There are other ways to support CCL:
> 1) Advertise the open positions on CCL
> =C2=A0=C2=A0 Details: http://www.ccl.net/jobs
> =C2=A0=C2=A0 This service is VERY successful if you look to fill the c= omp
> =C2=A0=C2=A0 chem or related position. People tell me that they find > =C2=A0=C2=A0 a suitable candidate often in days. Of course, some do no= t
> =C2=A0=C2=A0 find the candidates that fast, but it depends on the job<= br> > =C2=A0=C2=A0 description. The ads have counters, so you can see that t= hey
> =C2=A0=C2=A0 are visited. With fall approaching the time to find a can= didate
> =C2=A0=C2=A0 is now.
>
> 2) Buy the DVD archive of CCL for your group for 250 USD.
> =C2=A0=C2=A0 http://www.ccl.net/cgi-bin/ccl/buy_dvd
> =C2=A0=C2=A0 You can grep and do things like:
> =C2=A0=C2=A0=C2=A0=C2=A0 find . -type f -exec grep -li gamess {} \; > =C2=A0=C2=A0 and find stuff that Google will not show. And in case
> =C2=A0=C2=A0 of me getting incapacitated or senile (maybe I am already= ther?),
> =C2=A0=C2=A0 the CCL will survive better than other computational chem= istry
> =C2=A0=C2=A0 repositories. Someone will have a copy of it.
>
> 3) You can also be a personal sponsor.
> =C2=A0=C2=A0 http://www.ccl.net/cgi-bin/ccl/supporting_members
> =C2=A0=C2=A0 For two weeks of Starbucks your web site can be popular.<= br> > =C2=A0=C2=A0 BTW, if you do not have kids and amassed a billion dollar= s,
> =C2=A0=C2=A0 give a chunk to CCL... I will take it... I did not yet he= ar about
> =C2=A0=C2=A0 anyone getting rich off Computational Chemistry, but what= do
> =C2=A0=C2=A0 I know?
>
> 4) You can advertise your conferences and workshops.
> =C2=A0=C2=A0 This service is free but I do not shy if you help me
> =C2=A0=C2=A0 with 50 USD donation:
> =C2=A0=C2=A0
http://www.ccl.net/chemistry/announcements/con= ferences/
>
> Of course, you can help financially - this is the "capital budget= " for CCL
and you all understand that there is no free lunch. The operation of CCL is=
you, though, with your thoughtful questions, answers and comments, your
contributions to CCL archives, and your staying with CCL and participating.=
Look... It runs since 1991 and still has participants... Amazing... Some grad students were born after CCL started...
>
> Thank you all for being a part of CCL.
> Jan
> --
> Jan Labanowski
> jkl%a%ccl.net and oth= er addresses>

--
=C2=A0 =C2=A0Brian Salter-Duke (Brian Duke)=C2=A0 =C2=A0Brian.Salter-Duke*_= *monash.edu
=C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 Adjun= ct Associate Professor
=C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 Monash Institute of Pharmaceutica= l Sciences
=C2=A0 =C2=A0 =C2=A0 Monash University Parkville Campus, VIC 30= 52, Australiahttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.c= cl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt


-=3D This is automatically added to each message by the mailing script =3D-=
E-mail to subscribers: CHEMISTRY*ccl.n= et or use:
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E-mail to administrators: CHEM= ISTRY-REQUEST*ccl.net or use
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--001a11c24118e7ff7605143dc13f-- From owner-chemistry@ccl.net Tue Apr 21 15:15:00 2015 From: "Robert Molt r.molt.chemical.physics|,|gmail.com" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51294-150421134746-2772-s21tyVqudIc83JyR6RYmCA(-)server.ccl.net> X-Original-From: Robert Molt Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=windows-1252; format=flowed Date: Tue, 21 Apr 2015 13:47:38 -0400 MIME-Version: 1.0 Sent to CCL by: Robert Molt [r.molt.chemical.physics|-|gmail.com] Gaussian has ignored some of my more technical requests. Not that they are obliged to answer them, mind you. On 4/21/15 10:54 AM, Chang, Christopher Christopher.Chang],[nrel.gov wrote: > To be fair, upon visiting their website one can mouse over "Tech Support," > click on "More...," and be presented with quite a lot of information, > including "Contacting Gaussian, Inc. Technical Support." Granted it's not a > mailing list, but their model allows them to ensure information is correct > as ways of doing things, keywords, etc. change. > > I don't think I've ever had a request for help ignored by Gaussian. I can't > say the same for mailing lists in general. CCL raises the bar though, and is > a fantastic resource. That DVD is intriguing... > > - Chris > > -----Original Message----- >> From: owner-chemistry+christopher.chang==nrel.gov:ccl.net > [mailto:owner-chemistry+christopher.chang==nrel.gov:ccl.net] On Behalf Of > Salter-Duke, Brian James brian.james.duke_-_gmail.com > Sent: Monday, April 20, 2015 8:31 PM > To: Chang, Christopher > Subject: CCL:G: How are you feeling about making CCL prosperous? > > > Sent to CCL by: "Salter-Duke, Brian James " > [brian.james.duke,+,gmail.com] Hi Jan, > > Does Gaussian Inc contribute any funds to CCL? If not, I think they should > as it is used as the main Gaussian support email list. Most other programs, > e.g. > GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help > each other and attract the attention of the developers. I support a very > inactive list for VB2000. I do not believe Gaussian has such a list. > Actually I believe many users think there is such a list and it is called > the CCL. If they do not contribute any funds to CCL, I hope this shames them > into doing so. > > Cheers, Brian. > > > On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: >> Sent to CCL by: janl%%speakeasy.net >> Dear CCL, >> This is an infrequent message from the CCL Administrator about supporting > CCL. I am quite inspired with the recent fund drive for my local Columbus OH > NPR radio station that was supposedly successful (Oh yes, I am a member...). > Maybe it is the spring in the Northern Hemisphere that makes these bursts of > benevolent reflexes in people (but not animals...)? But I am probably more > inspired by the abysmal state of CCL support. Of course, CCL is free for > most of you, but not necessarily for me. It is getting actually more and > more taxing on my time due to the state of Internet, and the email in > particular. Lucky you, who do not have their email address displayed on the > Web for more than 20 years. >> At this point, the banners on the CCL Home page will soon disappear beside > one. They are 1000 USD for a year or 2000 USD for 3 years. From what I hear, > they are successful, they bring the traffic to the banner site, and they do > help. And bring good publicity. Encourage your marketing people to put the > banner on CCL. It works, and it will also help me to cope with CCL expenses. > >> There are other ways to support CCL: >> 1) Advertise the open positions on CCL >> Details: http://www.ccl.net/jobs >> This service is VERY successful if you look to fill the comp >> chem or related position. People tell me that they find >> a suitable candidate often in days. Of course, some do not >> find the candidates that fast, but it depends on the job >> description. The ads have counters, so you can see that they >> are visited. With fall approaching the time to find a candidate >> is now. >> >> 2) Buy the DVD archive of CCL for your group for 250 USD. >> http://www.ccl.net/cgi-bin/ccl/buy_dvd >> You can grep and do things like: >> find . -type f -exec grep -li gamess {} \; >> and find stuff that Google will not show. And in case >> of me getting incapacitated or senile (maybe I am already ther?), >> the CCL will survive better than other computational chemistry >> repositories. Someone will have a copy of it. >> >> 3) You can also be a personal sponsor. >> http://www.ccl.net/cgi-bin/ccl/supporting_members >> For two weeks of Starbucks your web site can be popular. >> BTW, if you do not have kids and amassed a billion dollars, >> give a chunk to CCL... I will take it... I did not yet hear about >> anyone getting rich off Computational Chemistry, but what do >> I know? >> >> 4) You can advertise your conferences and workshops. >> This service is free but I do not shy if you help me >> with 50 USD donation: >> http://www.ccl.net/chemistry/announcements/conferences/ >> >> Of course, you can help financially - this is the "capital budget" for CCL > and you all understand that there is no free lunch. The operation of CCL is > you, though, with your thoughtful questions, answers and comments, your > contributions to CCL archives, and your staying with CCL and participating. > Look... It runs since 1991 and still has participants... Amazing... Some > grad students were born after CCL started... >> Thank you all for being a part of CCL. >> Jan >> -- >> Jan Labanowski >> jkl%a%ccl.net and other addresses> -- Dr. Robert Molt Jr. r.molt.chemical.physics:+:gmail.com Nigel Richards Research Group Department of Chemistry & Chemical Biology Indiana University-Purdue University Indianapolis LD 326 402 N. Blackford St. Indianapolis, IN 46202 From owner-chemistry@ccl.net Tue Apr 21 15:50:01 2015 From: "Gary W Trucks trucks|-|gaussian.com" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51295-150421144127-25156-rwbWIatBll1nH9WbQnS8bA_._server.ccl.net> X-Original-From: "Gary W Trucks" Date: Tue, 21 Apr 2015 14:41:26 -0400 Sent to CCL by: "Gary W Trucks" [trucks-#-gaussian.com] Gaussian, Inc. has a team of highly experienced Ph.D. theoretical chemists who do full time technical support. The best and most accurate support for Gaussian is available directly from us. We respond to dozens of messages each day in both English and Mandarin. If you have an issue, please write to help:+:gaussian.com. Best regards, Gary W. Trucks, Ph.D. Vice President, Research & Development Gaussian, Inc. > "Brian Skinn bskinn~~alum.mit.edu" wrote: > > Sent to CCL by: Brian Skinn [bskinn=alum.mit.edu] > --001a11c24118e7ff7605143dc13f > Content-Type: text/plain; charset=UTF-8 > > Concur, as evidenced by the fact that questions regarding Gaussian often do > not explicitly state that it is the software to which the question > pertains; while those questions addressing other packages almost invariably > lead with identification of the relevant software. > > -Brian > > On Tue, Apr 21, 2015 at 10:23 AM, Jim Kress jimkress35,,gmail.com < > owner-chemistry*ccl.net> wrote: > > > > > Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] > > Agree. > > > > Jim > > > > -----Original Message----- > > > From: owner-chemistry+jimkress35==gmail.com=ccl.net > > [mailto:owner-chemistry+jimkress35==gmail.com=ccl.net] On Behalf Of > > Salter-Duke, Brian James brian.james.duke_-_gmail.com > > Sent: Monday, April 20, 2015 10:31 PM > > To: Kress, Jim > > Subject: CCL:G: How are you feeling about making CCL prosperous? > > > > > > Sent to CCL by: "Salter-Duke, Brian James " > > [brian.james.duke,+,gmail.com] Hi Jan, > > > > Does Gaussian Inc contribute any funds to CCL? If not, I think they should > > as it is used as the main Gaussian support email list. Most other programs, > > e.g. > > GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help > > each other and attract the attention of the developers. I support a very > > inactive list for VB2000. I do not believe Gaussian has such a list. > > Actually I believe many users think there is such a list and it is called > > the CCL. If they do not contribute any funds to CCL, I hope this shames > > them > > into doing so. > > > > Cheers, Brian. > > > > > > On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: > > > > > > Sent to CCL by: janl%%speakeasy.net > > > Dear CCL, > > > This is an infrequent message from the CCL Administrator about supporting > > CCL. I am quite inspired with the recent fund drive for my local Columbus > > OH > > NPR radio station that was supposedly successful (Oh yes, I am a > > member...). > > Maybe it is the spring in the Northern Hemisphere that makes these bursts > > of > > benevolent reflexes in people (but not animals...)? But I am probably more > > inspired by the abysmal state of CCL support. Of course, CCL is free for > > most of you, but not necessarily for me. It is getting actually more and > > more taxing on my time due to the state of Internet, and the email in > > particular. Lucky you, who do not have their email address displayed on the > > Web for more than 20 years. > > > > > > At this point, the banners on the CCL Home page will soon disappear > > beside > > one. They are 1000 USD for a year or 2000 USD for 3 years. From what I > > hear, > > they are successful, they bring the traffic to the banner site, and they do > > help. And bring good publicity. Encourage your marketing people to put the > > banner on CCL. It works, and it will also help me to cope with CCL > > expenses. > > > > > > > > There are other ways to support CCL: > > > 1) Advertise the open positions on CCL > > > Details: http://www.ccl.net/jobs > > > This service is VERY successful if you look to fill the comp > > > chem or related position. People tell me that they find > > > a suitable candidate often in days. Of course, some do not > > > find the candidates that fast, but it depends on the job > > > description. The ads have counters, so you can see that they > > > are visited. With fall approaching the time to find a candidate > > > is now. > > > > > > 2) Buy the DVD archive of CCL for your group for 250 USD. > > > http://www.ccl.net/cgi-bin/ccl/buy_dvd > > > You can grep and do things like: > > > find . -type f -exec grep -li gamess {} \; > > > and find stuff that Google will not show. And in case > > > of me getting incapacitated or senile (maybe I am already ther?), > > > the CCL will survive better than other computational chemistry > > > repositories. Someone will have a copy of it. > > > > > > 3) You can also be a personal sponsor. > > > http://www.ccl.net/cgi-bin/ccl/supporting_members > > > For two weeks of Starbucks your web site can be popular. > > > BTW, if you do not have kids and amassed a billion dollars, > > > give a chunk to CCL... I will take it... I did not yet hear about > > > anyone getting rich off Computational Chemistry, but what do > > > I know? > > > > > > 4) You can advertise your conferences and workshops. > > > This service is free but I do not shy if you help me > > > with 50 USD donation: > > > http://www.ccl.net/chemistry/announcements/conferences/ > > > > > > Of course, you can help financially - this is the "capital budget" for > > CCL > > and you all understand that there is no free lunch. The operation of CCL is > > you, though, with your thoughtful questions, answers and comments, your > > contributions to CCL archives, and your staying with CCL and participating. > > Look... It runs since 1991 and still has participants... Amazing... Some > > grad students were born after CCL started... > > > > > > Thank you all for being a part of CCL. > > > Jan > > > -- > > > Jan Labanowski > > > jkl%a%ccl.net and other addresses> > > > > -- > > Brian Salter-Duke (Brian Duke) Brian.Salter-Duke*_*monash.edu > > Adjunct Associate Professor > > Monash Institute of Pharmaceutical Sciences > > Monash University Parkville Campus, VIC 3052, Australiahttp:// > > www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt> > > > > > > --001a11c24118e7ff7605143dc13f > Content-Type: text/html; charset=UTF-8 > Content-Transfer-Encoding: quoted-printable > >
Concur, as evidenced by the fact that questions regarding = > Gaussian often do not explicitly state that it is the software to which the= > question pertains; while those questions addressing other packages almost = > invariably lead with identification of the relevant software.

>
-Brian

quote">On Tue, Apr 21, 2015 at 10:23 AM, Jim Kress jimkress35,, ttp://gmail.com">gmail.com < r-chemistry*ccl.net" target=3D"_blank">owner-chemistry*ccl.net> n> wrote:
order-left:1px #ccc solid;padding-left:1ex">
> Sent to CCL by: "Jim Kress" [jimkress35,+, .com" target=3D"_blank">gmail.com]
> Agree.
>
> Jim
>
> -----Original Message-----
> > From: owner-chemistry+jimkress35=3D=3D get=3D"_blank">gmail.com=3D >ccl.net
> [mailto:owner-chemistry+jim= > kress35=3D=3Dgmail.com a>=3Dccl.net] On Behalf Of= >
> Salter-Duke, Brian James=C2=A0 om" target=3D"_blank">brian.james.duke_-_gmail.com
> Sent: Monday, April 20, 2015 10:31 PM
> To: Kress, Jim
> Subject: CCL:G: How are you feeling about making CCL prosperous?
>
>
> Sent to CCL by: "Salter-Duke, Brian James "
>
[brian.james.duke,+, om" target=3D"_blank">gmail.com] Hi Jan,
>
> Does Gaussian Inc contribute any funds to CCL? If not, I think they should<= > br> > as it is used as the main Gaussian support email list. Most other programs,= >
> e.g.
> GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help= >
> each other and attract the attention of the developers. I support a very > > inactive list for VB2000. I do not believe Gaussian has such a list.
> Actually I believe many users think there is such a list and it is called r> > the CCL. If they do not contribute any funds to CCL, I hope this shames the= > m
> into doing so.
>
> Cheers, Brian.
>
>
> On Mon, Apr 20, 2015 at 07:08:18PM -0400, y.net" target=3D"_blank">janl-x-speakeasy.net wrote:
> >
> > Sent to CCL by: janl%% k">speakeasy.net
> > Dear CCL,
> > This is an infrequent message from the CCL Administrator about support= > ing
> CCL. I am quite inspired with the recent fund drive for my local Columbus O= > H
> NPR radio station that was supposedly successful (Oh yes, I am a member...)= > .
> Maybe it is the spring in the Northern Hemisphere that makes these bursts o= > f
> benevolent reflexes in people (but not animals...)? But I am probably more<= > br> > inspired by the abysmal state of CCL support. Of course, CCL is free for > > most of you, but not necessarily for me. It is getting actually more and > > more taxing on my time due to the state of Internet, and the email in
> particular. Lucky you, who do not have their email address displayed on the= >
> Web for more than 20 years.
> >
> > At this point, the banners on the CCL Home page will soon disappear be= > side
> one. They are 1000 USD for a year or 2000 USD for 3 years. From what I hear= > ,
> they are successful, they bring the traffic to the banner site, and they do= >
> help. And bring good publicity. Encourage your marketing people to put the<= > br> > banner on CCL. It works, and it will also help me to cope with CCL expenses= > .
>
> >
> > There are other ways to support CCL:
> > 1) Advertise the open positions on CCL
> > =C2=A0=C2=A0 Details: lank">http://www.ccl.net/jobs
> > =C2=A0=C2=A0 This service is VERY successful if you look to fill the c= > omp
> > =C2=A0=C2=A0 chem or related position. People tell me that they find r> > > =C2=A0=C2=A0 a suitable candidate often in days. Of course, some do no= > t
> > =C2=A0=C2=A0 find the candidates that fast, but it depends on the job<= > br> > > =C2=A0=C2=A0 description. The ads have counters, so you can see that t= > hey
> > =C2=A0=C2=A0 are visited. With fall approaching the time to find a can= > didate
> > =C2=A0=C2=A0 is now.
> >
> > 2) Buy the DVD archive of CCL for your group for 250 USD.
> > =C2=A0=C2=A0 =3D"_blank">http://www.ccl.net/cgi-bin/ccl/buy_dvd
> > =C2=A0=C2=A0 You can grep and do things like:
> > =C2=A0=C2=A0=C2=A0=C2=A0 find . -type f -exec grep -li gamess {} \; > > > =C2=A0=C2=A0 and find stuff that Google will not show. And in case
> > =C2=A0=C2=A0 of me getting incapacitated or senile (maybe I am already= > ther?),
> > =C2=A0=C2=A0 the CCL will survive better than other computational chem= > istry
> > =C2=A0=C2=A0 repositories. Someone will have a copy of it.
> >
> > 3) You can also be a personal sponsor.
> > =C2=A0=C2=A0 ers" target=3D"_blank">http://www.ccl.net/cgi-bin/ccl/supporting_members >
> > =C2=A0=C2=A0 For two weeks of Starbucks your web site can be popular.<= > br> > > =C2=A0=C2=A0 BTW, if you do not have kids and amassed a billion dollar= > s,
> > =C2=A0=C2=A0 give a chunk to CCL... I will take it... I did not yet he= > ar about
> > =C2=A0=C2=A0 anyone getting rich off Computational Chemistry, but what= > do
> > =C2=A0=C2=A0 I know?
> >
> > 4) You can advertise your conferences and workshops.
> > =C2=A0=C2=A0 This service is free but I do not shy if you help me
> > =C2=A0=C2=A0 with 50 USD donation:
> > =C2=A0=C2=A0
ferences/" target=3D"_blank">http://www.ccl.net/chemistry/announcements/con= > ferences/
> >
> > Of course, you can help financially - this is the "capital budget= > " for CCL
> and you all understand that there is no free lunch. The operation of CCL is= >
> you, though, with your thoughtful questions, answers and comments, your
> contributions to CCL archives, and your staying with CCL and participating.= >
> Look... It runs since 1991 and still has participants... Amazing... Some > > grad students were born after CCL started...
> >
> > Thank you all for being a part of CCL.
> > Jan
> > --
> > Jan Labanowski
> > jkl%a%ccl.net and oth= > er addresses>
>
> --
> =C2=A0 =C2=A0Brian Salter-Duke (Brian Duke)=C2=A0 =C2=A0Brian.Salter-Duke*_= > *monash.edu
> =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 Adjun= > ct Associate Professor
> =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 Monash Institute of Pharmaceutica= > l Sciences
>
=C2=A0 =C2=A0 =C2=A0 Monash University Parkville Campus, VIC 30= > 52, Australiahttp:// agehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.= > txt" target=3D"_blank">www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.c= > cl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt
>

> > --001a11c24118e7ff7605143dc13f-- > > From owner-chemistry@ccl.net Tue Apr 21 18:01:00 2015 From: "Salter-Duke, Brian James - brian.james.duke*o*gmail.com" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51296-150421171204-772-ViYhs617jaNeakZnzoInLw::server.ccl.net> X-Original-From: "Salter-Duke, Brian James -" Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=iso-8859-1 Date: Wed, 22 Apr 2015 07:11:52 +1000 MIME-Version: 1.0 Sent to CCL by: "Salter-Duke, Brian James -" [brian.james.duke[a]gmail.com] That is indeed the case, and I have had excellent relationships with the Gaussian staff over the years and they have been most helpfull. However other programs provide direct support also and their developers are also helpfull. But other programs have a separate list. In some cases, and the Dalton list springs to mind, the developers are active on the list helping people. Lists differ. The GAMESS(US) list is not run by the GAMESS(US) delelopers and they are not active on the list. The ORCA list is run by the ORCA developers and they are active on the list. Gaussian does not have a list and the Gaussian Inc staff do not help the many people who seek Gaussian help on the CCL. I am not hitting Gaussian, but I do think they could help CCL more, both with advice and money. CCL is a very important resource and we all benefit from it, including Gaussian Inc and its users. Brian. On Tue, Apr 21, 2015 at 02:54:42PM +0000, Chang, Christopher Christopher.Chang],[nrel.gov wrote: > To be fair, upon visiting their website one can mouse over "Tech Support," > click on "More...," and be presented with quite a lot of information, > including "Contacting Gaussian, Inc. Technical Support." Granted it's not a > mailing list, but their model allows them to ensure information is correct > as ways of doing things, keywords, etc. change. > > I don't think I've ever had a request for help ignored by Gaussian. I can't > say the same for mailing lists in general. CCL raises the bar though, and is > a fantastic resource. That DVD is intriguing... > > - Chris > > -----Original Message----- > > From: owner-chemistry+christopher.chang==nrel.gov:ccl.net > [mailto:owner-chemistry+christopher.chang==nrel.gov:ccl.net] On Behalf Of > Salter-Duke, Brian James brian.james.duke_-_gmail.com > Sent: Monday, April 20, 2015 8:31 PM > To: Chang, Christopher > Subject: CCL:G: How are you feeling about making CCL prosperous? > > > Sent to CCL by: "Salter-Duke, Brian James " > [brian.james.duke,+,gmail.com] Hi Jan, > > Does Gaussian Inc contribute any funds to CCL? If not, I think they should > as it is used as the main Gaussian support email list. Most other programs, > e.g. > GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users to help > each other and attract the attention of the developers. I support a very > inactive list for VB2000. I do not believe Gaussian has such a list. > Actually I believe many users think there is such a list and it is called > the CCL. If they do not contribute any funds to CCL, I hope this shames them > into doing so. > > Cheers, Brian. > > > On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: > > > > Sent to CCL by: janl%%speakeasy.net > > Dear CCL, > > This is an infrequent message from the CCL Administrator about supporting > CCL. I am quite inspired with the recent fund drive for my local Columbus OH > NPR radio station that was supposedly successful (Oh yes, I am a member...). > Maybe it is the spring in the Northern Hemisphere that makes these bursts of > benevolent reflexes in people (but not animals...)? But I am probably more > inspired by the abysmal state of CCL support. Of course, CCL is free for > most of you, but not necessarily for me. It is getting actually more and > more taxing on my time due to the state of Internet, and the email in > particular. Lucky you, who do not have their email address displayed on the > Web for more than 20 years. > > > > At this point, the banners on the CCL Home page will soon disappear beside > one. They are 1000 USD for a year or 2000 USD for 3 years. From what I hear, > they are successful, they bring the traffic to the banner site, and they do > help. And bring good publicity. Encourage your marketing people to put the > banner on CCL. It works, and it will also help me to cope with CCL expenses. > > > > > There are other ways to support CCL: > > 1) Advertise the open positions on CCL > >    Details: http://www.ccl.net/jobs > >    This service is VERY successful if you look to fill the comp > >    chem or related position. People tell me that they find > >    a suitable candidate often in days. Of course, some do not > >    find the candidates that fast, but it depends on the job > >    description. The ads have counters, so you can see that they > >    are visited. With fall approaching the time to find a candidate > >    is now. > > > > 2) Buy the DVD archive of CCL for your group for 250 USD. > >    http://www.ccl.net/cgi-bin/ccl/buy_dvd > >    You can grep and do things like: > >      find . -type f -exec grep -li gamess {} \; > >    and find stuff that Google will not show. And in case > >    of me getting incapacitated or senile (maybe I am already ther?), > >    the CCL will survive better than other computational chemistry > >    repositories. Someone will have a copy of it. > > > > 3) You can also be a personal sponsor. > >    http://www.ccl.net/cgi-bin/ccl/supporting_members > >    For two weeks of Starbucks your web site can be popular. > >    BTW, if you do not have kids and amassed a billion dollars, > >    give a chunk to CCL... I will take it... I did not yet hear about > >    anyone getting rich off Computational Chemistry, but what do > >    I know? > > > > 4) You can advertise your conferences and workshops. > >    This service is free but I do not shy if you help me > >    with 50 USD donation: > >    http://www.ccl.net/chemistry/announcements/conferences/ > > > > Of course, you can help financially - this is the "capital budget" for CCL > and you all understand that there is no free lunch. The operation of CCL is > you, though, with your thoughtful questions, answers and comments, your > contributions to CCL archives, and your staying with CCL and participating. > Look... It runs since 1991 and still has participants... Amazing... Some > grad students were born after CCL started... > > > > Thank you all for being a part of CCL. > > Jan > > -- > > Jan Labanowski > > jkl%a%ccl.net and other addresses> > > -- > Brian Salter-Duke (Brian Duke) Brian.Salter-Duke*_*monash.edu > Adjunct Associate Professor > Monash Institute of Pharmaceutical Sciences > Monash University Parkville Campus, VIC 3052, Australia=look up the > X-Original-From: line in the mail header.http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/spammers.txt------=_NextPart_000_0000_01D07C10.CF9565E0 > Content-Type: application/pkcs7-signature; name="smime.p7s" > Content-Transfer-Encoding: base64 > Content-Disposition: attachment; filename="smime.p7s" > > MIAGCSqGSIb3DQEHAqCAMIACAQExDzANBglghkgBZQMEAgMFADCABgkqhkiG9w0BBwEAAKCCEPww > ggUGMIID7qADAgECAhBXKfoeDOBlmUbTpgqmuri0MA0GCSqGSIb3DQEBBQUAMD4xEzARBgoJkiaJ > k/IsZAEZFgNnb3YxFDASBgoJkiaJk/IsZAEZFgRucmVsMREwDwYDVQQDEwhOUkVMUk9PVDAeFw0x > 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CCqGSIb3DQMHMAsGCWCGSAFlAwQBAjAOBggqhkiG9w0DAgICAIAwBwYFKw4DAgcwDQYIKoZIhvcN > AwICAUAwDQYIKoZIhvcNAwICASgwCwYJYIZIAWUDBAIDMAsGCWCGSAFlAwQCAjALBglghkgBZQME > AgEwBwYFKw4DAhowDQYJKoZIhvcNAQEBBQAEggEAm7ZNOq2v7Ho8VRlYqKLlz3n8ZpiVWt9EsT2t > mRcIbHRYymKEd7d5aQAUfQG6n4veXtFQokl/N1QcrAvJhYsusFVjeauo9lS3j5h00HEkjn3JsbvF > hxwOUazYAMROHY9z6y4OrG28p+VesJ9lWABIkwUUH6XWTxmTrOstmEG1ycBagOyyKH499nPPSlxG > L0Wq9b7erB6Wh14fGfhv24I8Q3SX1phSMfGFSV+4Sz3C3rTBdAjWt/jEIxqQM85r0Z0F8zSmlM4V > GpG0M3XvyE23Lt66V4tGpMSyS26Pb7TbXNn8CKDvtQDsGKfwGSLBJa1YXHDJ81+1wG+4p8mq0zY/ > tQAAAAAAAA= -- Brian Salter-Duke (Brian Duke) Brian.Salter-Duke * monash.edu Adjunct Associate Professor Monash Institute of Pharmaceutical Sciences Monash University Parkville Campus, VIC 3052, Australia From owner-chemistry@ccl.net Tue Apr 21 18:36:00 2015 From: "Robert Molt r.molt.chemical.physics.*.gmail.com" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51297-150421172919-3288-j7gRUgTkyPpJtYUI/M/DWw*server.ccl.net> X-Original-From: Robert Molt Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=windows-1252; format=flowed Date: Tue, 21 Apr 2015 17:29:12 -0400 MIME-Version: 1.0 Sent to CCL by: Robert Molt [r.molt.chemical.physics]*[gmail.com] Update: in response to the previous post of mine, a kind higher-up in Gaussian email me to inquire what technical question was missed. The gentleman said he would look into the matter of the emails of mine which were not responded to. I thus should fairly report this lest I malign someone unfairly! -Robert On 4/21/15 1:47 PM, Robert Molt r.molt.chemical.physics|,|gmail.com wrote: > > Sent to CCL by: Robert Molt [r.molt.chemical.physics|-|gmail.com] > Gaussian has ignored some of my more technical requests. Not that they > are obliged to answer them, mind you. > > On 4/21/15 10:54 AM, Chang, Christopher Christopher.Chang],[nrel.gov > wrote: >> To be fair, upon visiting their website one can mouse over "Tech >> Support," >> click on "More...," and be presented with quite a lot of information, >> including "Contacting Gaussian, Inc. Technical Support." Granted it's >> not a >> mailing list, but their model allows them to ensure information is >> correct >> as ways of doing things, keywords, etc. change. >> >> I don't think I've ever had a request for help ignored by Gaussian. I >> can't >> say the same for mailing lists in general. CCL raises the bar though, >> and is >> a fantastic resource. That DVD is intriguing... >> >> - Chris >> >> -----Original Message----- >>> From: owner-chemistry+christopher.chang==nrel.gov:ccl.net >> [mailto:owner-chemistry+christopher.chang==nrel.gov:ccl.net] On >> Behalf Of >> Salter-Duke, Brian James brian.james.duke_-_gmail.com >> Sent: Monday, April 20, 2015 8:31 PM >> To: Chang, Christopher >> Subject: CCL:G: How are you feeling about making CCL prosperous? >> >> >> Sent to CCL by: "Salter-Duke, Brian James " >> [brian.james.duke,+,gmail.com] Hi Jan, >> >> Does Gaussian Inc contribute any funds to CCL? If not, I think they >> should >> as it is used as the main Gaussian support email list. Most other >> programs, >> e.g. >> GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users >> to help >> each other and attract the attention of the developers. I support a very >> inactive list for VB2000. I do not believe Gaussian has such a list. >> Actually I believe many users think there is such a list and it is >> called >> the CCL. If they do not contribute any funds to CCL, I hope this >> shames them >> into doing so. >> >> Cheers, Brian. >> >> >> On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: >>> Sent to CCL by: janl%%speakeasy.net >>> Dear CCL, >>> This is an infrequent message from the CCL Administrator about >>> supporting >> CCL. I am quite inspired with the recent fund drive for my local >> Columbus OH >> NPR radio station that was supposedly successful (Oh yes, I am a >> member...). >> Maybe it is the spring in the Northern Hemisphere that makes these >> bursts of >> benevolent reflexes in people (but not animals...)? But I am probably >> more >> inspired by the abysmal state of CCL support. Of course, CCL is free for >> most of you, but not necessarily for me. It is getting actually more and >> more taxing on my time due to the state of Internet, and the email in >> particular. Lucky you, who do not have their email address displayed >> on the >> Web for more than 20 years. >>> At this point, the banners on the CCL Home page will soon disappear >>> beside >> one. They are 1000 USD for a year or 2000 USD for 3 years. From what >> I hear, >> they are successful, they bring the traffic to the banner site, and >> they do >> help. And bring good publicity. Encourage your marketing people to >> put the >> banner on CCL. It works, and it will also help me to cope with CCL >> expenses. >> >>> There are other ways to support CCL: >>> 1) Advertise the open positions on CCL >>> Details: http://www.ccl.net/jobs >>> This service is VERY successful if you look to fill the comp >>> chem or related position. People tell me that they find >>> a suitable candidate often in days. Of course, some do not >>> find the candidates that fast, but it depends on the job >>> description. The ads have counters, so you can see that they >>> are visited. With fall approaching the time to find a candidate >>> is now. >>> >>> 2) Buy the DVD archive of CCL for your group for 250 USD. >>> http://www.ccl.net/cgi-bin/ccl/buy_dvd >>> You can grep and do things like: >>> find . -type f -exec grep -li gamess {} \; >>> and find stuff that Google will not show. And in case >>> of me getting incapacitated or senile (maybe I am already ther?), >>> the CCL will survive better than other computational chemistry >>> repositories. Someone will have a copy of it. >>> >>> 3) You can also be a personal sponsor. >>> http://www.ccl.net/cgi-bin/ccl/supporting_members >>> For two weeks of Starbucks your web site can be popular. >>> BTW, if you do not have kids and amassed a billion dollars, >>> give a chunk to CCL... I will take it... I did not yet hear about >>> anyone getting rich off Computational Chemistry, but what do >>> I know? >>> >>> 4) You can advertise your conferences and workshops. >>> This service is free but I do not shy if you help me >>> with 50 USD donation: >>> http://www.ccl.net/chemistry/announcements/conferences/ >>> >>> Of course, you can help financially - this is the "capital budget" >>> for CCL >> and you all understand that there is no free lunch. The operation of >> CCL is >> you, though, with your thoughtful questions, answers and comments, your >> contributions to CCL archives, and your staying with CCL and >> participating. >> Look... It runs since 1991 and still has participants... Amazing... Some >> grad students were born after CCL started... >>> Thank you all for being a part of CCL. >>> Jan >>> -- >>> Jan Labanowski >>> jkl%a%ccl.net and other addresses> > -- Dr. Robert Molt Jr. r.molt.chemical.physics**gmail.com Nigel Richards Research Group Department of Chemistry & Chemical Biology Indiana University-Purdue University Indianapolis LD 326 402 N. Blackford St. Indianapolis, IN 46202 From owner-chemistry@ccl.net Tue Apr 21 22:01:01 2015 From: "Joseph Leonard jleonard42===gmail.com" To: CCL Subject: CCL: How do you feel about CCL prosperous? Message-Id: <-51298-150421215957-14642-p6VSVvLT90GC6USJeuFTGg%server.ccl.net> X-Original-From: Joseph Leonard Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=UTF-8 Date: Tue, 21 Apr 2015 21:59:52 -0400 MIME-Version: 1.0 Sent to CCL by: Joseph Leonard [jleonard42-.-gmail.com] How many of the readers of this thread or any other have send Jan some money to help keep CCL afloat? It's all well and good to want companies to pony up, but they're not reading this thing - you are... It's one of the oldest forums that exist to support our field and it deserves support. Joe -- "I bought into the idea of jocks versus nerds for a long time, as I was insecure and prematurely defensive about not being into sport. But at some point you meet people who are excited about it and realise you are cutting yourself off from them. Take someone like Nate Silver. When he writes about baseball, I can see why he watches it. So maybe I can watch too. It's good to talk about science and be enthusiastic, without trying to build clubs." — Randall Munroe (XKCD) From owner-chemistry@ccl.net Tue Apr 21 22:36:00 2015 From: "Jim Kress jimkress35 .. gmail.com" To: CCL Subject: CCL:G: How are you feeling about making CCL prosperous? Message-Id: <-51299-150421170222-30241-Gito25TBoob+RABdUEufRQ~~server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Tue, 21 Apr 2015 17:02:16 -0400 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [jimkress35-#-gmail.com] Which does nothing to resolve the fact that dozens of Gaussian support requests appear on CCL and are resolved by many of the CCL subscribers. Is it Gaussian's position that all requests for Gaussian support be automatically re-routed to help##gaussian.com and not be allowed to appear on CCL? Jim Kress -----Original Message----- > From: owner-chemistry+jimkress35==gmail.com##ccl.net [mailto:owner-chemistry+jimkress35==gmail.com##ccl.net] On Behalf Of Gary W Trucks trucks|-|gaussian.com Sent: Tuesday, April 21, 2015 2:41 PM To: Kress, Jim Subject: CCL:G: How are you feeling about making CCL prosperous? Sent to CCL by: "Gary W Trucks" [trucks-#-gaussian.com] Gaussian, Inc. has a team of highly experienced Ph.D. theoretical chemists who do full time technical support. The best and most accurate support for Gaussian is available directly from us. We respond to dozens of messages each day in both English and Mandarin. If you have an issue, please write to help(-)gaussian.com. Best regards, Gary W. Trucks, Ph.D. Vice President, Research & Development Gaussian, Inc. > "Brian Skinn bskinn~~alum.mit.edu" wrote: > > Sent to CCL by: Brian Skinn [bskinn=alum.mit.edu] > --001a11c24118e7ff7605143dc13f > Content-Type: text/plain; charset=UTF-8 > > Concur, as evidenced by the fact that questions regarding Gaussian > often do not explicitly state that it is the software to which the > question pertains; while those questions addressing other packages > almost invariably lead with identification of the relevant software. > > -Brian > > On Tue, Apr 21, 2015 at 10:23 AM, Jim Kress jimkress35,,gmail.com < > owner-chemistry*ccl.net> wrote: > > > > > Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] Agree. > > > > Jim > > > > -----Original Message----- > > > From: owner-chemistry+jimkress35==gmail.com=ccl.net > > [mailto:owner-chemistry+jimkress35==gmail.com=ccl.net] On Behalf Of > > Salter-Duke, Brian James brian.james.duke_-_gmail.com > > Sent: Monday, April 20, 2015 10:31 PM > > To: Kress, Jim > > Subject: CCL:G: How are you feeling about making CCL prosperous? > > > > > > Sent to CCL by: "Salter-Duke, Brian James " > > [brian.james.duke,+,gmail.com] Hi Jan, > > > > Does Gaussian Inc contribute any funds to CCL? If not, I think they > > should as it is used as the main Gaussian support email list. Most > > other programs, e.g. > > GAMESS(US), GAMESS(UK), Dalton, Orca, have their own list for users > > to help each other and attract the attention of the developers. I > > support a very inactive list for VB2000. I do not believe Gaussian has such a list. > > Actually I believe many users think there is such a list and it is > > called the CCL. If they do not contribute any funds to CCL, I hope > > this shames them into doing so. > > > > Cheers, Brian. > > > > > > On Mon, Apr 20, 2015 at 07:08:18PM -0400, janl-x-speakeasy.net wrote: > > > > > > Sent to CCL by: janl%%speakeasy.net Dear CCL, This is an > > > infrequent message from the CCL Administrator about supporting > > CCL. I am quite inspired with the recent fund drive for my local > > Columbus OH NPR radio station that was supposedly successful (Oh > > yes, I am a member...). > > Maybe it is the spring in the Northern Hemisphere that makes these > > bursts of benevolent reflexes in people (but not animals...)? But I > > am probably more inspired by the abysmal state of CCL support. Of > > course, CCL is free for most of you, but not necessarily for me. It > > is getting actually more and more taxing on my time due to the state > > of Internet, and the email in particular. Lucky you, who do not have > > their email address displayed on the Web for more than 20 years. > > > > > > At this point, the banners on the CCL Home page will soon > > > disappear > > beside > > one. They are 1000 USD for a year or 2000 USD for 3 years. From what > > I hear, they are successful, they bring the traffic to the banner > > site, and they do help. And bring good publicity. Encourage your > > marketing people to put the banner on CCL. It works, and it will > > also help me to cope with CCL expenses. > > > > > > > > There are other ways to support CCL: > > > 1) Advertise the open positions on CCL > > > Details: http://www.ccl.net/jobs > > > This service is VERY successful if you look to fill the comp > > > chem or related position. People tell me that they find > > > a suitable candidate often in days. Of course, some do not > > > find the candidates that fast, but it depends on the job > > > description. The ads have counters, so you can see that they > > > are visited. With fall approaching the time to find a candidate > > > is now. > > > > > > 2) Buy the DVD archive of CCL for your group for 250 USD. > > > http://www.ccl.net/cgi-bin/ccl/buy_dvd > > > You can grep and do things like: > > > find . -type f -exec grep -li gamess {} \; > > > and find stuff that Google will not show. And in case > > > of me getting incapacitated or senile (maybe I am already ther?), > > > the CCL will survive better than other computational chemistry > > > repositories. Someone will have a copy of it. > > > > > > 3) You can also be a personal sponsor. > > > http://www.ccl.net/cgi-bin/ccl/supporting_members > > > For two weeks of Starbucks your web site can be popular. > > > BTW, if you do not have kids and amassed a billion dollars, > > > give a chunk to CCL... I will take it... I did not yet hear about > > > anyone getting rich off Computational Chemistry, but what do > > > I know? > > > > > > 4) You can advertise your conferences and workshops. > > > This service is free but I do not shy if you help me > > > with 50 USD donation: > > > http://www.ccl.net/chemistry/announcements/conferences/ > > > > > > Of course, you can help financially - this is the "capital budget" > > > for > > CCL > > and you all understand that there is no free lunch. The operation of > > CCL is you, though, with your thoughtful questions, answers and > > comments, your contributions to CCL archives, and your staying with CCL and participating. > > Look... It runs since 1991 and still has participants... Amazing... > > Some grad students were born after CCL started... > > > > > > Thank you all for being a part of CCL. > > > Jan > > > -- > > > Jan Labanowski > > > jkl%a%ccl.net and other addresses> > > > > -- > > Brian Salter-Duke (Brian Duke) Brian.Salter-Duke*_*monash.edu > > Adjunct Associate Professor > > Monash Institute of Pharmaceutical Sciences > > Monash University Parkville Campus, VIC 3052, Australiahttp:// > > www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry > > /sub_unsub.shtmlhttp://www.ccl.net/spammers.txt> > > > > > > --001a11c24118e7ff7605143dc13f > Content-Type: text/html; charset=UTF-8 > Content-Transfer-Encoding: quoted-printable > >
Concur, as evidenced by the fact that questions > regarding = Gaussian often do not explicitly state that it is the > software to which the= question pertains; while those questions > addressing other packages almost = invariably lead with identification > of the relevant software.

>
-Brian

>class=3D"gmail_= > quote">On Tue, Apr 21, 2015 at 10:23 AM, Jim Kress jimkress35,, href=3D"h= ttp://gmail.com">gmail.com < href=3D"mailto:owne= r-chemistry*ccl.net" > target=3D"_blank">owner-chemistry*ccl.net> n> wrote:
n> .8ex;b= > order-left:1px #ccc solid;padding-left:1ex">
Sent to CCL by: > "Jim Kress" [jimkress35,+, target=3D"_blank">gmail.com]
> Agree.
>
> Jim
>
> -----Original Message-----
> > From: owner-chemistry+jimkress35=3D=3D href=3D"http://gmail.com" tar= get=3D"_blank">gmail.com=3D href=3D"http://ccl.net" target=3D"_blank"= > >ccl.net
> [mailto: href=3D"mailto:owner-chemistry%2Bjimkress35">owner-chemistry+jim= > kress35=3D=3D target=3D"_blank">gmail.com a>=3Dccl.net] On > a>Behalf Of= >
> Salter-Duke, Brian James=C2=A0 href=3D"http://brian.james.duke_-_gmail.c= > om" target=3D"_blank">brian.james.duke_-_gmail.com
> Sent: Monday, April 20, 2015 10:31 PM
> To: Kress, Jim
> Subject: CCL:G: How are you feeling about making CCL prosperous?
>

Sent to CCL by: "Salter-Duke, Brian James "
>
[brian.james.duke,+, href=3D"http://gmail.c= om" target=3D"_blank">gmail.com] Hi > Jan,

Does Gaussian Inc contribute any funds to CCL? If not, I > think they should<= > br> > as it is used as the main Gaussian support email list. Most other > programs,=
e.g.
GAMESS(US), GAMESS(UK), Dalton, Orca, have > their own list for users to help=
each other and attract the > attention of the developers. I support a very > > inactive list for VB2000. I do not believe Gaussian has such a > list.
Actually I believe many users think there is such a list and > it is called r> > the CCL. If they do not contribute any funds to CCL, I hope this > shames the= m
into doing so.

Cheers, Brian.


> On Mon, Apr 20, 2015 at 07:08:18PM -0400, href=3D"http://janl-x-speakeas= y.net" > target=3D"_blank">janl-x-speakeasy.net wrote:
>
> > Sent to CCL by: janl%% target=3D"_blan= k">speakeasy.net
> Dear CCL,
> This > is an infrequent message from the CCL Administrator about support= > ing
CCL. I am quite inspired with the recent fund drive for my > local Columbus O= H
NPR radio station that was supposedly > successful (Oh yes, I am a member...)= .
Maybe it is the spring in > the Northern Hemisphere that makes these bursts o= f
benevolent > reflexes in people (but not animals...)? But I am probably more<= > br> > inspired by the abysmal state of CCL support. Of course, CCL is free > for > > most of you, but not necessarily for me. It is getting actually more > and > > more taxing on my time due to the state of Internet, and the email > in
particular. Lucky you, who do not have their email address > displayed on the=
Web for more than 20 years.
>
> > At this point, the banners on the CCL Home page will soon disappear > be= side
one. They are 1000 USD for a year or 2000 USD for 3 > years. From what I hear= ,
they are successful, they bring the > traffic to the banner site, and they do=
help. And bring good > publicity. Encourage your marketing people to put the<= > br> > banner on CCL. It works, and it will also help me to cope with CCL > expenses= .

>
> There are other ways to support > CCL:
> 1) Advertise the open positions on CCL
> > =C2=A0=C2=A0 Details: target=3D"_b= lank">http://www.ccl.net/jobs
> > =C2=A0=C2=A0 This service is VERY successful if you look to fill > the c= omp
> =C2=A0=C2=A0 chem or related position. People tell > me that they find r> > > =C2=A0=C2=A0 a suitable candidate often in days. Of course, some > do no= t
> =C2=A0=C2=A0 find the candidates that fast, but it > depends on the job<= > br> > > =C2=A0=C2=A0 description. The ads have counters, so you can see > that t= hey
> =C2=A0=C2=A0 are visited. With fall approaching > the time to find a can= didate
> =C2=A0=C2=A0 is now.
> >
> 2) Buy the DVD archive of CCL for your group for 250 > USD.
> =C2=A0=C2=A0 href=3D"http://www.ccl.net/cgi-bin/ccl/buy_dvd" target= > =3D"_blank">http://www.ccl.net/cgi-bin/ccl/buy_dvd
> > =C2=A0=C2=A0 You can grep and do things like:
> > =C2=A0=C2=A0=C2=A0=C2=A0 find . -type f -exec grep -li gamess {} > \; > > > =C2=A0=C2=A0 and find stuff that Google will not show. And in > case
> =C2=A0=C2=A0 of me getting incapacitated or senile > (maybe I am already= ther?),
> =C2=A0=C2=A0 the CCL will > survive better than other computational chem= istry
> > =C2=A0=C2=A0 repositories. Someone will have a copy of it.
> >
> 3) You can also be a personal sponsor.
> > =C2=A0=C2=A0 href=3D"http://www.ccl.net/cgi-bin/ccl/supporting_memb= > ers" > target=3D"_blank">http://www.ccl.net/cgi-bin/ccl/supporting_members = > >
> > =C2=A0=C2=A0 For two weeks of Starbucks your web site can be > popular.<= > br> > > =C2=A0=C2=A0 BTW, if you do not have kids and amassed a billion > dollar= s,
> =C2=A0=C2=A0 give a chunk to CCL... I will take > it... I did not yet he= ar about
> =C2=A0=C2=A0 anyone getting > rich off Computational Chemistry, but what= do
> =C2=A0=C2=A0 > I know?
>
> 4) You can advertise your conferences and > workshops.
> =C2=A0=C2=A0 This service is free but I do not shy > if you help me
> =C2=A0=C2=A0 with 50 USD donation:
> > =C2=A0=C2=A0 href=3D"http://www.ccl.net/chemistry/announcements/con= > ferences/" > target=3D"_blank">http://www.ccl.net/chemistry/announcements/con= > ferences/
> >
> > Of course, you can help financially - this is the "capital > budget= " for CCL
and you all understand that there is no > free lunch. The operation of CCL is=
you, though, with your > thoughtful questions, answers and comments, your
contributions to > CCL archives, and your staying with CCL and participating.=
> Look... It runs since 1991 and still has participants... Amazing... > Some > > grad students were born after CCL started...
>
> Thank > you all for being a part of CCL.
> Jan
> --
> Jan > Labanowski
> jkl%a% target=3D"_blank">ccl.net and oth= er addresses>

> --
> =C2=A0 =C2=A0Brian Salter-Duke (Brian Duke)=C2=A0 > =C2=A0Brian.Salter-Duke*_= * target=3D"_blank">monash.edu
> =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 > Adjun= ct Associate Professor
> =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 Monash Institute of > Pharmaceutica= l Sciences
>
=C2=A0 =C2=A0 =C2=A0 Monash University Parkville Campus, > VIC 30= 52, Australiahttp:// href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_mess= > agehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spam > mers.= txt" > target=3D"_blank">www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.c > = > cl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt
>

> > --001a11c24118e7ff7605143dc13f--http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Tue Apr 21 23:11:00 2015 From: "Bharat Sharma bharatsolbridge,,gmail.com" To: CCL Subject: CCL:G: Semiempirical calculation on Gaussian using External parameter file Message-Id: <-51300-150421205332-10686-4kBjG/p0FA1nNy/TX2mVSw-.-server.ccl.net> X-Original-From: "Bharat Sharma" Date: Tue, 21 Apr 2015 20:53:31 -0400 Sent to CCL by: "Bharat Sharma" [bharatsolbridge__gmail.com] Hello Everyone, I would like to use Gaussian 09 for Semiempirical calculations using external parameter file which is in MOPAC format. I am having trouble in writing correct input line. Can anyone correct it? #AM1=(Input,PARAM, MOPAC, BOTH) opt=gdiis I have a PARAM file with parameters. Thank you. Best regards, Bharat Sharma