From owner-chemistry@ccl.net Thu Apr 11 15:20:00 2013 From: "Randhir Singh Marwaha randhirmarwaha#%#gmail.com" To: CCL Subject: CCL:G: Vibrational Mode Assignments Message-Id: <-48547-130411141646-16515-i8B95ybVcWd4sX7+ogk/5w-#-server.ccl.net> X-Original-From: "Randhir Singh Marwaha" Date: Thu, 11 Apr 2013 14:16:45 -0400 Sent to CCL by: "Randhir Singh Marwaha" [randhirmarwaha..gmail.com] Is there any software that can find out various vibrational modes (Assignments) of a molecule directly without calculating them manually by seeing vibrations on animated movie in Gaussian log file? Thanks Randhir Singh From owner-chemistry@ccl.net Thu Apr 11 18:06:00 2013 From: "Jim Kress ccl_nospam _ kressworks.com" To: CCL Subject: CCL:G: Vibrational Mode Assignments Message-Id: <-48548-130411162844-26819-6cwTnnXz5SpwvuxTkRdOXA-#-server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Thu, 11 Apr 2013 16:28:20 -0400 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam{:}kressworks.com] Yes. Firefly (http://classic.chem.msu.su/gran/gamess/index.html ) GAMESS (http://www.msg.ameslab.gov/gamess/ ) Jim > -----Original Message----- > From: owner-chemistry+ccl_nospam==kressworks.com===ccl.net > [mailto:owner-chemistry+ccl_nospam==kressworks.com===ccl.net] On Behalf > Of Randhir Singh Marwaha randhirmarwaha#%#gmail.com > Sent: Thursday, April 11, 2013 2:17 PM > To: Kress, Jim > Subject: CCL:G: Vibrational Mode Assignments > > > Sent to CCL by: "Randhir Singh Marwaha" [randhirmarwaha..gmail.com] Is > there any software that can find out various vibrational modes (Assignments) > of a molecule directly without calculating them manually by seeing vibrations > on animated movie in Gaussian log file? > Thanks > Randhir SinghTo > recover the email address of the author of the message, please change the > strange characters on the top line to the === sign. You can also look up the X- > Original-From: line in the mail header.> From owner-chemistry@ccl.net Thu Apr 11 18:41:00 2013 From: "Mohammad Halim mhalim4-*-uwo.ca" To: CCL Subject: CCL:G: Vibrational Mode Assignments Message-Id: <-48549-130411162630-25442-i6hblAIUo/8LHVSr8Jwh5Q:server.ccl.net> X-Original-From: Mohammad Halim Content-language: en Content-type: multipart/alternative; boundary="Boundary_(ID_Pwz6jHndeoMEWx4KCqNVyg)" Date: Thu, 11 Apr 2013 16:26:23 -0400 MIME-version: 1.0 Sent to CCL by: Mohammad Halim [mhalim4!^!uwo.ca] This is a multi-part message in MIME format. --Boundary_(ID_Pwz6jHndeoMEWx4KCqNVyg) Content-type: text/plain; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Content-disposition: inline Dear Randhir, You may use WebMO or GaussView software (if you have access to these softwares). In webmo demo server (see the link below), you may upload the output (log) file and can see the movie of each vibrational mode. http://buchner.chem.hope.edu/~webmodemo/cgi-bin/webmo/login.cgi thanks, ......................................................................................... Mohammad A. Halim PhD Candidate Department of Chemistry(http://www.uwo.ca/chem/) The University of Western Ontario(http://www.uwo.ca/) London, ON, Canada, N6A 5B7 Ph: (519) 661-2111 ext. 86667 Home page: http://ahalim.host56.com/ ............................................................................................. On 04/11/13, "Randhir Singh Marwaha randhirmarwaha#%#gmail.com" wrote: > > Sent to CCL by: "Randhir Singh Marwaha" [randhirmarwaha..gmail.com] > Is there any software that can find out various vibrational modes (Assignments) > of a molecule directly without calculating them manually by seeing vibrations > on animated movie in Gaussian log file? > Thanks > Randhir Singh> > > > -- --Boundary_(ID_Pwz6jHndeoMEWx4KCqNVyg) Content-type: text/html; charset=iso-8859-1 Content-transfer-encoding: quoted-printable Content-disposition: inline Dear Randhir=2C=3Cbr /=3E=3Cbr /=3EYou may use WebMO or GaussView softwa= re (if you have access to these softwares)=2E In webmo demo server (see = the link below)=2C you may upload the output (log) file and can see the = movie of each vibrational mode=2E=3Cbr /=3E=3Cbr /=3Ehttp=3A//buchner=2E= chem=2Ehope=2Eedu/=7Ewebmodemo/cgi-bin/webmo/login=2Ecgi=3Cbr /=3E=3Cbr = /=3Ethanks=2C=3Cbr /=3E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E= =2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E= =2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E= =2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E= =3Cbr /=3EMohammad A=2E Halim=3Cbr /=3EPhD Candidate=3Cbr /=3E=3Ca href=3D= =22http=3A//www=2Euwo=2Eca/chem/=22=3EDepartment of Chemistry=3C/a=3E=3C= br /=3E=3Ca href=3D=22http=3A//www=2Euwo=2Eca/=22=3EThe University of We= stern Ontario=3C/a=3E=3Cbr /=3ELondon=2C ON=2C Canada=2C N6A 5B7=3Cbr /=3E= Ph=3A=3Cspan class=3D=22fixed=22=3E (519) 661-2111 ext=2E 86667=3C/span=3E= =3Cbr /=3EHome page=3A =3Ca href=3D=22http=3A//ahalim=2Ehost56=2Ecom/=22= =3Ehttp=3A//ahalim=2Ehost56=2Ecom/=3C/a=3E=3Cbr /=3E=2E=2E=2E=2E=2E=2E=2E= =2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E= =2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E= =2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E= =2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=2E=3Cbr /=3E=3Cbr /=3E=3Cbr /=3E= =3Cspan=3EOn 04/11/13=2C =3Cb class=3D=22name=22=3E=26quot=3BRandhir Sin= gh Marwaha randhirmarwaha=23=25=23gmail=2Ecom=26quot=3B =3C/b=3E =26lt=3B= owner-chemistry=40ccl=2Enet=26gt=3B wrote=3A=3C/span=3E=3Cblockquote cit= e=3D=22mid=3A =26lt=3B-id=233bt-48547-130411141646-16515-JKaPts2tStVu+El= WoEvH4A=40server=2Eccl=2Enet=22 class=3D=22iwcQuote=22 style=3D=22border= -left=3A 1px solid =2300F=3B padding-left=3A 13px=3B margin-left=3A 0=3B= =22 type=3D=22cite=22=3E=3Cdiv class=3D=22mimepart text plain=22=3E=3Cbr= /=3ESent to CCL by=3A =26quot=3BRandhir Singh Marwaha=26quot=3B =5Brand= hirmarwaha=2E=2Egmail=2Ecom=5D=3Cbr /=3EIs there any software that can f= ind out various vibrational modes (Assignments) =3Cbr /=3Eof a molecule = directly without calculating them manually by seeing vibrations =3Cbr /=3E= on animated movie in Gaussian log file=3F=3Cbr /=3EThanks =3Cbr /=3ERand= hir Singh=3Cbr /=3E=3Cbr /=3E=3Cbr /=3E=3Cbr /=3E-=3D This is automatica= lly added to each message by the mailing script =3D-=3Cbr /=3ETo recover= the email address of the author of the message=2C please change=3Cbr /=3E= the strange characters on the top line to the =40 sign=2E You can also=3C= br /=3Elook up the X-Original-From=3A line in the mail header=2E=3Cbr /=3E= =3Cbr /=3EE-mail to subscribers=3A CHEMISTRY=40ccl=2Enet or use=3A=3Cbr = /=3E=A0=A0=A0=A0=A0 =3Ca href=3D=22http=3A//www=2Eccl=2Enet/cgi-bin/ccl/= send=5Fccl=5Fmessage=22 target=3D=22l=22=3Ehttp=3A//www=2Eccl=2Enet/cgi-= bin/ccl/send=5Fccl=5Fmessage=3C/a=3E=3Cbr /=3E=3Cbr /=3EE-mail to admini= strators=3A CHEMISTRY-REQUEST=40ccl=2Enet or use=3Cbr /=3E=A0=A0=A0=A0=A0= =3Ca href=3D=22http=3A//www=2Eccl=2Enet/cgi-bin/ccl/send=5Fccl=5Fmessag= e=22 target=3D=22l=22=3Ehttp=3A//www=2Eccl=2Enet/cgi-bin/ccl/send=5Fccl=5F= message=3C/a=3E=3Cbr /=3E=3Cbr /=3ESubscribe/Unsubscribe=3A =3Cbr /=3E=A0= =A0=A0=A0=A0 =3Ca href=3D=22http=3A//www=2Eccl=2Enet/chemistry/sub=5Funs= ub=2Eshtml=22 target=3D=22l=22=3Ehttp=3A//www=2Eccl=2Enet/chemistry/sub=5F= unsub=2Eshtml=3C/a=3E=3Cbr /=3E=3Cbr /=3EBefore posting=2C check wait ti= me at=3A =3Ca href=3D=22http=3A//www=2Eccl=2Enet=22 target=3D=22l=22=3Eh= ttp=3A//www=2Eccl=2Enet=3C/a=3E=3Cbr /=3E=3Cbr /=3EJob=3A =3Ca href=3D=22= http=3A//www=2Eccl=2Enet/jobs=22 target=3D=22l=22=3Ehttp=3A//www=2Eccl=2E= net/jobs=3C/a=3E =3Cbr /=3EConferences=3A =3Ca href=3D=22http=3A//server= =2Eccl=2Enet/chemistry/announcements/conferences/=22 target=3D=22l=22=3E= http=3A//server=2Eccl=2Enet/chemistry/announcements/conferences/=3C/a=3E= =3Cbr /=3E=3Cbr /=3ESearch Messages=3A =3Ca href=3D=22http=3A//www=2Eccl= =2Enet/chemistry/searchccl/index=2Eshtml=22 target=3D=22l=22=3Ehttp=3A//= www=2Eccl=2Enet/chemistry/searchccl/index=2Eshtml=3C/a=3E=3Cbr /=3E=3Cbr= /=3EIf your mail bounces from CCL with 5=2E7=2E1 error=2C check=3A=3Cbr= /=3E=A0=A0=A0=A0=A0 =3Ca href=3D=22http=3A//www=2Eccl=2Enet/spammers=2E= txt=22 target=3D=22l=22=3Ehttp=3A//www=2Eccl=2Enet/spammers=2Etxt=3C/a=3E= =3Cbr /=3E=3Cbr /=3ERTFI=3A =3Ca href=3D=22http=3A//www=2Eccl=2Enet/chem= istry/aboutccl/instructions/=22 target=3D=22l=22=3Ehttp=3A//www=2Eccl=2E= net/chemistry/aboutccl/instructions/=3C/a=3E=3Cbr /=3E=3Cbr /=3E=3Cbr /=3E= =3C/div=3E=3C/blockquote=3E--=3Cbr signature=3D=22separator=22 /=3E --Boundary_(ID_Pwz6jHndeoMEWx4KCqNVyg)--