From owner-chemistry@ccl.net Thu Aug 20 09:55:01 2009 From: "Chris Swain swain]*[mac.com" To: CCL Subject: CCL: [Ann] iBabel 2.6 Message-Id: <-40034-090820094914-20450-53Dmik4UiG2HdQUATNvpOw*|*server.ccl.net> X-Original-From: Chris Swain Content-transfer-encoding: 7BIT Content-type: text/plain; charset=US-ASCII; format=flowed; delsp=yes Date: Thu, 20 Aug 2009 14:48:56 +0100 MIME-version: 1.0 Sent to CCL by: Chris Swain [swain],[mac.com] Hi IBabel has been updated to version 2.6 http://homepage.mac.com/swain/Macinchem/page6/page6.html iBabel is a Mac OS X GUI for the cheminformatics toolkit OpenBabel and molecule viewer. The new version adds support for a range of tools that are now available from OpenBabel these include energy minimisation, conform generation, energy calculations etc. It also includes initial support for lookups usimg PubChem. Cheers Chris http://www.macinchem.org From owner-chemistry@ccl.net Thu Aug 20 13:17:01 2009 From: "Mihaly Mezei Mihaly.Mezei * mssm.edu" To: CCL Subject: CCL: And now something completely different! Message-Id: <-40035-090820131503-30916-633auaaipBnBAot/a/kbMg**server.ccl.net> X-Original-From: Mihaly Mezei Content-disposition: inline Content-language: en Content-transfer-encoding: 7BIT Content-type: text/plain; charset=us-ascii Date: Thu, 20 Aug 2009 13:14:50 -0400 MIME-version: 1.0 Sent to CCL by: Mihaly Mezei [Mihaly.Mezei::mssm.edu] Greetings, reading Dr. Jensen's comment on the "educational film explaining the interaction of molecules with light" (http://www.youtube.com/watch?v=ceoO18RTiZI) made me go and watch it. I share Dr. Jensen's shock. It may be fun to watch, but it has hardly anything to do with pchem research. This video reminded me of the blind man's query about milk: Milk is white, he was told. Ok, but what is white? Oh, white is like a swan. Yes, but what is a swan? You know, the bird with an S-shaped neck. Thanks, Now I know what milk is. Mihaly Mezei Department of Structural and Chemical Biology, Mount Sinai School of Medicine, NYU Voice: (212) 659-5475 Fax: (212) 849-2456 WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=0000072500001497192632 WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei WWW (Department): http://atlas.physbio.mssm.edu From owner-chemistry@ccl.net Thu Aug 20 13:52:00 2009 From: "clara song clarasong83!=!gmail.com" To: CCL Subject: CCL: problem of defining spin multiplicity in NWchem Message-Id: <-40036-090820134536-11167-9ah6FTAGxNhUASNuchiZYQ[a]server.ccl.net> X-Original-From: "clara song" Date: Thu, 20 Aug 2009 13:45:33 -0400 Sent to CCL by: "clara song" [clarasong83{}gmail.com] plz help thanks > "clara song clarasong83-$-gmail.com" wrote: > > Sent to CCL by: "clara song" [clarasong83() gmail.com] > Hi, I am a new user to Nwchem. When I tried to calculated excited states by suing tddft for Nb_9 (doublet state), I experienced problem when defining the spin multi, the following is my input file, and I do not know where I should put the word "doublet", if I insert it after MP2, it gave me error, and if I do not specify, there is the default value: multi=1 in my output, which conflicts with number of electron. > > I know if I use DFT i.e. b3lyp, I can define by MULT=2, I just wonder how can I do that within MP2(UMP2)? Please give your advice. Thank you very much. > > start nb9lowest_mp2_tddft > title "nb9lowest_mp2_tddft" > geometry > Nb -1.448794 -0.453923 -1.535258 > Nb 1.115437 -0.937601 1.610466 > Nb 0.176599 1.493887 -1.555186 > Nb -0.486721 -2.387848 -0.135716 > Nb 0.374053 1.612074 1.405017 > Nb -1.458063 -0.679815 1.443668 > Nb -1.858453 1.516153 0.182833 > Nb 2.251542 0.921053 -0.095359 > Nb 1.333402 -1.084980 -1.323466 > end > basis > Nb library lanl2dz_ecp > end > ecp > Nb library lanl2dz_ecp > end > > UMP2 > freeze core > end > > TDDFT > NROOTS 3 > TARGET 1 > END > > TASK TDDFT OPTIMIZE > > From owner-chemistry@ccl.net Thu Aug 20 16:23:01 2009 From: "clara song clarasong83^^^gmail.com" To: CCL Subject: CCL:G: error with Nwchem Message-Id: <-40037-090820162140-492-QFUlcUN75T8SuYkR43Hxvg() server.ccl.net> X-Original-From: "clara song" Date: Thu, 20 Aug 2009 16:21:36 -0400 Sent to CCL by: "clara song" [clarasong83*gmail.com] Hi, I am using Nwchem to do MP2 optimization for Nb_4 anion. The initial structure is the optimized one from Gaussian 03, and I think it is a reasonable one. However, I got the error meassge: driver: task_gradient failed 0 ------------------------------------------------------------------------ ------------------------------------------------------------------------ current input line : 27: task dft optimize ------------------------------------------------------------------------ ------------------------------------------------------------------------ There is an error related to the specified geometry ----------------------------------------------------------------------- My input is the following, could anyone plz help me. Many thanks in advance. start nb4_tddft charge -1 geometry Nb -0.000012 1.248388 -0.943921 Nb 0.000012 -1.248506 -0.944053 Nb 1.247704 0.000044 0.943949 Nb -1.247705 0.000073 0.944026 end basis Nb library lanl2dz_ecp end ecp Nb library lanl2dz_ecp end DFT xc pbe0 mult 2 end title "UHF optimize" task dft optimize title "mp2 optimize" task mp2 optimize title"tddft" TDDFT NROOTS 3 TARGET 1 END TASK TDDFT OPTIMIZE From owner-chemistry@ccl.net Thu Aug 20 18:20:01 2009 From: "Carlos Pereira carlosps1985 . gmail.com" To: CCL Subject: CCL:G: ERROR FREQUENCY CALCULATIONS Message-Id: <-40038-090820154651-29844-Ph8lMWaIPUMF4XZgN1PYMA~~server.ccl.net> X-Original-From: Carlos Pereira Content-Type: multipart/alternative; boundary=001636ed77e85280130471980288 Date: Thu, 20 Aug 2009 16:46:34 -0300 MIME-Version: 1.0 Sent to CCL by: Carlos Pereira [carlosps1985]![gmail.com] --001636ed77e85280130471980288 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit HELP-ME PLEASE... *FIRST ERROR* ===================================================================== *INPUT* ===================================================================== %chk=C:\Users\carlos\Desktop\Calculos\4alinhaFREQ.chk %rwf=a,245mw,b,245mw,c,245mw,d,245mw,e,245mw,f,245mw,g,245mw,h,245mw #p opt freq b3lyp/lanl2dz scf=(maxcycle=600) test MaxDisk=1960MW ... ===================================================================== *WINDOW IN WIN VISTA* ===================================================================== Severe Error Message # 2070 The processing of the last link ended abnormally. All processing has been aborted. ===================================================================== *OUTPUT* ===================================================================== Leave Link 1110 at Wed Aug 19 19:18:05 2009, MaxMem= 6291456 cpu: 10541.0 (Enter C:\G03W\l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F. MDV= 6291456 using IRadAn= 2. Not enough memory in AlgDDF. Error termination via Lnk1e in C:\G03W\l1002.exe at Wed Aug 19 19:18:32 2009. Job cpu time: 0 days 2 hours 58 minutes 41.0 seconds. File lengths (MBytes): RWF= 209 Int= 0 D2E= 0 Chk= 18 Scr= 1 ===================================================================== OTHER ERROR... ===================================================================== *INPUT *===================================================================== %chk=C:\Users\carlos\Desktop\Calculos\4aFREQ.chk %rwf=a,245mw,b,245mw,c,245mw,d,245mw,e,245mw,f,245mw,g,245mw,h,245mw #p opt freq b3lyp/lanl2dz scf=(maxcycle=600) test MaxDisk=1960MW ... ===================================================================== *OUTPUT* ===================================================================== ... Leave Link 1110 at Thu Aug 20 01:05:47 2009, MaxMem= 6291456 cpu: 10601.0 (Enter C:\G03W\l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F. MDV= 6291456 using IRadAn= 2. Not enough memory in AlgDDF. Error termination via Lnk1e in C:\G03W\l1002.exe at Thu Aug 20 01:06:14 2009. Job cpu time: 0 days 2 hours 59 minutes 46.0 seconds. File lengths (MBytes): RWF= 209 Int= 0 D2E= 0 Chk= 18 Scr= 1 -- Carlos Pereira da Silva http://Carlosps.110mb.com carlosps1985##gmail.com (86)99223852 --001636ed77e85280130471980288 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: base64 PGRpdj5IRUxQLU1FIFBMRUFTRS4uLjwvZGl2Pgo8ZGl2PqA8L2Rpdj4KPGRpdj48YnI+PHN0cm9u Zz48Zm9udCBzaXplPSI0IiBmYWNlPSJhcmlhbCBibGFjayxzYW5zLXNlcmlmIj5GSVJTVCBFUlJP UjwvZm9udD48L3N0cm9uZz48YnI+PGJyPj09PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09 PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09PTxicj48c3Ryb25nPjxlbT5JTlBV VDwvZW0+PC9zdHJvbmc+PGJyPj09PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09 PT09PT09PT09PT09PT09PT09PT09PT09PT09PT09PTwvZGl2PgoKPGRpdj4lY2hrPUM6XFVzZXJz XGNhcmxvc1xEZXNrdG9wXENhbGN1bG9zXDRhbGluaGFGUkVRLmNoazxicj4lcndmPWEsMjQ1bXcs YiwyNDVtdyxjLDI0NW13LGQsMjQ1bXcsZSwyNDVtdyxmLDI0NW13LGcsMjQ1bXcsaCwyNDVtdzxi cj4jcCBvcHQgZnJlcSBiM2x5cC9sYW5sMmR6IHNjZj0obWF4Y3ljbGU9NjAwKSB0ZXN0IE1heERp 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Message-Id: <-40039-090820192942-2485-gkCD8xIVKvdJSKsjwoJJqQ-#-server.ccl.net> X-Original-From: "Kalju Kahn" Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1 Date: Thu, 20 Aug 2009 16:29:27 -0700 MIME-Version: 1.0 Sent to CCL by: "Kalju Kahn" [kalju+*+chem.ucsb.edu] Dear all, When I ran ROHF or UHF calculations of atomic oxygen in the triplet state, I get energies quite a bit lower than the reported SCF limit (-74.809398). For example, I use Partridge uncontracted 18s13p basis, for which Partridge in 1988 has reported -74.809398, in a good agreement with numeric HF value. Several authors who have looked into large Gaussian basis sets (e.g. Jorge's generator coordinate GTOs) give similar results. When I run what I think is a triplet oxygen atom, I get: E(ROHF) -74.811377613235 E (UHF) -74.814047051515 It happen regardless of the program I try (Gaussian, NWChem, DIRCCR12). Output looks correct: I have one neutral atom with 8 electrons, 5 alpha and 3 beta electrons, and five occupied orbitals, three doubly occupied and two singly occupied). I played with some symmetry options in NWChem and Roothan vs. Guest & Saunders orbitals in DIRCCR12 but the result's the same. I can't figure out why the ROHF energy reported by modern programs is so much below the HF limit? I appreciate you correcting my misunderstanding here, P.S. NWChem input below: Kalju --------------------------------------------------- title "Checking oxygen triplet 3P state with NWChem" scratch_dir /work/nwchem/oxygen memory total 1000 mb print high set int:acc_std 1d-18 set lindep:n_dep 0 set tolguess 1e-10 set tol2e 1e-18 geometry units angstrom O 0.00000000 0.00000000 0.000000000 end basis "ao basis" O S 1678789.0000000 1.0000000 O S 251388.2000000 1.0000000 O S 57213.7300000 1.0000000 O S 16207.4400000 1.0000000 O S 5288.2760000 1.0000000 O S 1909.4780000 1.0000000 O S 744.9231000 1.0000000 O S 309.0755000 1.0000000 O S 134.8645000 1.0000000 O S 61.3312900 1.0000000 O S 28.8379600 1.0000000 O S 13.9450400 1.0000000 O S 6.8990770 1.0000000 O S 3.4315770 1.0000000 O S 1.5398400 1.0000000 O S 0.7097510 1.0000000 O S 0.3230470 1.0000000 O S 0.1442220 1.0000000 O P 2113.5130000 1.0000000 O P 500.2799000 1.0000000 O P 162.5448000 1.0000000 O P 62.2134300 1.0000000 O P 26.3401400 1.0000000 O P 11.9057400 1.0000000 O P 5.6475940 1.0000000 O P 2.7782140 1.0000000 O P 1.3901900 1.0000000 O P 0.6952810 1.0000000 O P 0.3446420 1.0000000 O P 0.1685380 1.0000000 O P 0.0795510 1.0000000 end scf triplet rohf thresh 3.0e-11 tol2e 1.0e-18 sym off adapt off end task scf energy ----------------------------------------- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Dr. Kalju Kahn Department of Chemistry and Biochemistry UC Santa Barbara, CA 93106 From owner-chemistry@ccl.net Thu Aug 20 20:20:01 2009 From: "Donald Keidel keided01|*|student.ucr.edu" To: CCL Subject: CCL:G: Inaccurate quadrature in CalDSu. Message-Id: <-40040-090820195259-8165-6wKlPeCehOBljORFADvong[#]server.ccl.net> X-Original-From: "Donald Keidel" Date: Thu, 20 Aug 2009 19:52:55 -0400 Sent to CCL by: "Donald Keidel" [keided01:-:student.ucr.edu] Hi, I am fairly new to Gaussian and I am running some single point calculations. I am getting the following error in my log file: The electronic state of the initial guess is 1-A. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Problem detected with inexpensive integrals. Switching to full accuracy and repeating last cycle. Spurious integrated density or basis function: NE= 166 NElCor= 0 El error=1.66D+02 rel=1.00D+00 Tolerance=1.00D-03 Shell 59 absolute error=1.91D-04 Tolerance=1.20D-02 Shell 205 signed error=1.64D-04 Tolerance=1.00D-01 Inaccurate quadrature in CalDSu. Error termination via Lnk1e in /garibaldi/people-b/applications/g03/l502.exe at Thu Aug 20 16:27:47 2009. Job cpu time: 0 days 0 hours 5 minutes 54.7 seconds. File lengths (MBytes): RWF= 230 Int= 0 D2E= 0 Chk= 8 Scr= 4 My input is the following: #b3lyp/cc-pvDZ SCF=Tight Test Pop=MK IOp(6/33=2,6/41=10,6/42=10) sp 0 1 C 122.5090 60.8510 18.2520 C 122.3550 61.7270 19.4910 C 122.4130 61.0380 20.8460 C 123.2530 59.7670 20.8000 C 124.0860 59.5690 19.5380 C 123.5820 59.7900 18.3160 C 124.4590 59.2180 17.3590 C 124.3160 57.8860 17.4700 C 124.9790 57.2940 16.3110 C 124.6270 55.9590 16.1960 C 125.2890 55.2440 15.1090 C 124.5940 54.0770 14.8670 C 125.4280 52.9880 14.3100 C 124.8570 51.7360 14.4680 C 125.5000 50.8300 13.5020 C 123.0300 61.8600 17.2350 C 121.1330 60.3370 17.8680 C 124.9610 58.3530 19.7810 C 125.2950 58.4910 15.4130 C 125.7210 53.1470 12.8010 O 126.3520 49.9890 14.1580 H 124.7740 53.1550 12.2420 H 126.2560 54.0920 12.6280 H 126.3420 52.3070 12.4570 H 124.3600 59.0010 15.1390 H 125.9500 59.1910 15.9520 H 125.8030 58.1420 14.5010 H 125.6070 58.5340 20.6520 H 124.3260 57.4760 19.9720 H 125.5850 58.1670 18.8950 H 120.7150 59.7500 18.6990 H 120.4700 61.1880 17.6520 H 121.2150 59.7000 16.9750 H 122.2940 62.6680 17.1090 H 123.9810 62.2830 17.5910 H 123.1910 61.3580 16.2690 H 123.8000 57.3460 18.2770 H 125.1220 59.7560 16.6660 H 123.9300 59.7650 21.6670 H 122.5820 58.9020 20.9140 H 122.8340 61.7290 21.5910 H 121.3930 60.7920 21.1760 H 123.1430 62.4940 19.4650 H 121.3920 62.2530 19.4180 H 124.0670 51.4680 15.1850 H 123.5190 53.9660 15.0690 H 126.1900 55.5790 14.5730 H 123.9050 55.4760 16.8710 H 124.6850 60.4460 19.4070 H 122.7600 59.4010 17.7520 H 125.9320 56.8680 16.0770 H 123.9270 55.4840 16.8520 H 126.1650 55.5710 14.5890 H 123.5490 53.9680 15.0670 H 126.3360 53.0640 14.8710 H 124.0880 51.4720 15.1640 H 124.7590 50.2670 12.9730 H 126.0560 51.4100 12.7950 H 125.8540 49.4600 14.8010 I have looked on the web and people have suggested adding guess=INDO. I have also looked at this molecule in Molden (the .log file output) and it looks fine to me. Does anyone have any suggestions on how I may proceed? Thank you for all help and if you require additional information please let me know. Don From owner-chemistry@ccl.net Thu Aug 20 21:48:01 2009 From: "Donald Keidel dkeidel_._scripps.edu" To: CCL Subject: CCL:G: Inaccurate quadrature in CalDSu Message-Id: <-40041-090820194943-6755-RWKj02jiPZ3G/o7kteHi1A..server.ccl.net> X-Original-From: "Donald Keidel" Date: Thu, 20 Aug 2009 19:49:39 -0400 Sent to CCL by: "Donald Keidel" [dkeidel===scripps.edu] Hi, I am fairly new to Gaussian and I am running some single point calculations. I am getting the following error in my log file: The electronic state of the initial guess is 1-A. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Problem detected with inexpensive integrals. Switching to full accuracy and repeating last cycle. Spurious integrated density or basis function: NE= 166 NElCor= 0 El error=1.66D+02 rel=1.00D+00 Tolerance=1.00D-03 Shell 59 absolute error=1.91D-04 Tolerance=1.20D-02 Shell 205 signed error=1.64D-04 Tolerance=1.00D-01 Inaccurate quadrature in CalDSu. Error termination via Lnk1e in /garibaldi/people-b/applications/g03/l502.exe at Thu Aug 20 16:27:47 2009. Job cpu time: 0 days 0 hours 5 minutes 54.7 seconds. File lengths (MBytes): RWF= 230 Int= 0 D2E= 0 Chk= 8 Scr= 4 My input is the following: #b3lyp/cc-pvDZ SCF=Tight Test Pop=MK IOp(6/33=2,6/41=10,6/42=10) sp 0 1 C 122.5090 60.8510 18.2520 C 122.3550 61.7270 19.4910 C 122.4130 61.0380 20.8460 C 123.2530 59.7670 20.8000 C 124.0860 59.5690 19.5380 C 123.5820 59.7900 18.3160 C 124.4590 59.2180 17.3590 C 124.3160 57.8860 17.4700 C 124.9790 57.2940 16.3110 C 124.6270 55.9590 16.1960 C 125.2890 55.2440 15.1090 C 124.5940 54.0770 14.8670 C 125.4280 52.9880 14.3100 C 124.8570 51.7360 14.4680 C 125.5000 50.8300 13.5020 C 123.0300 61.8600 17.2350 C 121.1330 60.3370 17.8680 C 124.9610 58.3530 19.7810 C 125.2950 58.4910 15.4130 C 125.7210 53.1470 12.8010 O 126.3520 49.9890 14.1580 H 124.7740 53.1550 12.2420 H 126.2560 54.0920 12.6280 H 126.3420 52.3070 12.4570 H 124.3600 59.0010 15.1390 H 125.9500 59.1910 15.9520 H 125.8030 58.1420 14.5010 H 125.6070 58.5340 20.6520 H 124.3260 57.4760 19.9720 H 125.5850 58.1670 18.8950 H 120.7150 59.7500 18.6990 H 120.4700 61.1880 17.6520 H 121.2150 59.7000 16.9750 H 122.2940 62.6680 17.1090 H 123.9810 62.2830 17.5910 H 123.1910 61.3580 16.2690 H 123.8000 57.3460 18.2770 H 125.1220 59.7560 16.6660 H 123.9300 59.7650 21.6670 H 122.5820 58.9020 20.9140 H 122.8340 61.7290 21.5910 H 121.3930 60.7920 21.1760 H 123.1430 62.4940 19.4650 H 121.3920 62.2530 19.4180 H 124.0670 51.4680 15.1850 H 123.5190 53.9660 15.0690 H 126.1900 55.5790 14.5730 H 123.9050 55.4760 16.8710 H 124.6850 60.4460 19.4070 H 122.7600 59.4010 17.7520 H 125.9320 56.8680 16.0770 H 123.9270 55.4840 16.8520 H 126.1650 55.5710 14.5890 H 123.5490 53.9680 15.0670 H 126.3360 53.0640 14.8710 H 124.0880 51.4720 15.1640 H 124.7590 50.2670 12.9730 H 126.0560 51.4100 12.7950 H 125.8540 49.4600 14.8010 I have looked on the web and people have suggested adding guess=INDO. I have also looked at this molecule in Molden (the .log file output) and it looks fine to me. Does anyone have any suggestions on how I may proceed? Thank you for all help and if you require additional information please let me know. Don From owner-chemistry@ccl.net Thu Aug 20 22:22:00 2009 From: "Soren Eustis soreneustis^^^gmail.com" To: CCL Subject: CCL: And now something completely different! Message-Id: <-40042-090820150427-25971-zKZ2nq2dlxFPPPP6KIA1rQ()server.ccl.net> X-Original-From: "Soren Eustis" Content-language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Thu, 20 Aug 2009 21:03:54 +0200 MIME-Version: 1.0 Sent to CCL by: "Soren Eustis" [soreneustis-x-gmail.com] I would have to say that I am more than a little surprised at the backlash > from this YouTube posting. It is elementary indeed, and no doubt most of us like to think those we teach are well beyond such elementary things. However, often there are more than a few people in any given class that benefit enormously by such elementary ways of teaching. I am all for conceptual visualizations, and I think we shouldn't turn our nose up at such a work. No science will come of it, but perhaps someone will have an a-ha moment and then go back and actually learn something. Soren N. Eustis, Ph.D. Postdoctoral Associate ETH - Zurich Institute of Biogeochemistry and Pollutant Dynamics Universitaetstrasse 16 8092 Zurich Switzerland -----Original Message----- > From: owner-chemistry+soreneustis==gmail.com]|[ccl.net [mailto:owner-chemistry+soreneustis==gmail.com]|[ccl.net] On Behalf Of Mihaly Mezei Mihaly.Mezei * mssm.edu Sent: Thursday, August 20, 2009 19:15 To: Eustis, Soren Newman Subject: CCL: And now something completely different! Sent to CCL by: Mihaly Mezei [Mihaly.Mezei::mssm.edu] Greetings, reading Dr. Jensen's comment on the "educational film explaining the interaction of molecules with light" (http://www.youtube.com/watch?v=ceoO18RTiZI) made me go and watch it. I share Dr. Jensen's shock. It may be fun to watch, but it has hardly anything to do with pchem research. This video reminded me of the blind man's query about milk: Milk is white, he was told. Ok, but what is white? Oh, white is like a swan. Yes, but what is a swan? You know, the bird with an S-shaped neck. Thanks, Now I know what milk is. Mihaly Mezei Department of Structural and Chemical Biology, Mount Sinai School of Medicine, NYU Voice: (212) 659-5475 Fax: (212) 849-2456 WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=00000725000014971 92632 WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei WWW (Department): http://atlas.physbio.mssm.eduhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt