Entering Link 1 = C:\G09W\l1.exe PID= 4692. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2011, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. 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By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010. ****************************************** Gaussian 09: EM64W-G09RevC.01 23-Sep-2011 27-Nov-2012 ****************************************** %chk=H:\Labs\3rdyearlab\Boat_ts_fail.chk ------------------------------------------ # opt=qst2 freq hf/3-21g geom=connectivity ------------------------------------------ 1/5=1,18=20,27=202,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=5,11=9,16=1,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7//1,2,3,16; 1/5=1,18=20,27=202/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=5,11=9,16=1,25=1,30=1,71=1/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,18=20,27=202/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,19=2,28=1/1; 99/9=1/99; ------------ Boat_ts_fail ------------ Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: C 4.44022 0.69774 -0.27026 C 3.31907 0.02434 0.01345 C 1.99578 0.65112 0.37076 C 0.87067 0.29253 -0.64102 C -0.45263 0.9193 -0.2837 C -1.57377 0.2459 0. H 5.36585 0.19177 -0.52814 H 3.33016 -1.0668 -0.01911 H -2.49941 0.75188 0.25788 H -1.60796 -0.8412 -0.01895 H -0.46371 2.01045 -0.25115 H 0.76333 -0.79937 -0.69666 H 4.4744 1.78485 -0.2513 H 1.18835 0.63055 -1.63876 H 2.10311 1.74301 0.42641 H 1.6781 0.3131 1.36851 ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: C 1.90328 0.84907 -0.88105 C 2.77966 1.29939 -2.02158 C 3.99989 1.83356 -1.89266 C -0.96318 1.35922 0.09018 C -0.00709 2.29073 -0.00522 C 1.47526 2.02281 0.04485 H 1.008 0.34804 -1.27387 H 2.36367 1.15579 -3.02063 H 2.02933 2.92153 -0.26494 H 1.78009 1.80393 1.07734 H -0.29275 3.33549 -0.14178 H -2.01851 1.61051 0.04083 H 2.43739 0.10785 -0.26788 H -0.72429 0.30662 0.22544 H 4.59022 2.13458 -2.75302 H 4.45375 1.99347 -0.91708 Iteration 1 RMS(Cart)= 0.11373793 RMS(Int)= 1.13291626 Iteration 2 RMS(Cart)= 0.08323940 RMS(Int)= 1.10722320 Iteration 3 RMS(Cart)= 0.06668328 RMS(Int)= 1.08667513 Iteration 4 RMS(Cart)= 0.05290023 RMS(Int)= 1.07006495 Iteration 5 RMS(Cart)= 0.04708356 RMS(Int)= 1.05600750 Iteration 6 RMS(Cart)= 0.04216171 RMS(Int)= 1.04450851 Iteration 7 RMS(Cart)= 0.04183350 RMS(Int)= 1.03500578 Iteration 8 RMS(Cart)= 0.04255821 RMS(Int)= 1.02719510 Iteration 9 RMS(Cart)= 0.04205122 RMS(Int)= 1.02098271 Iteration 10 RMS(Cart)= 0.04011578 RMS(Int)= 1.01631397 Iteration 11 RMS(Cart)= 0.03935648 RMS(Int)= 1.01122337 Iteration 12 RMS(Cart)= 0.04026312 RMS(Int)= 0.99865473 Iteration 13 RMS(Cart)= 0.03545476 RMS(Int)= 0.99087041 Iteration 14 RMS(Cart)= 0.03285780 RMS(Int)= 0.98591123 Iteration 15 RMS(Cart)= 0.03183777 RMS(Int)= 0.98269977 Iteration 16 RMS(Cart)= 0.03133401 RMS(Int)= 0.98040584 Iteration 17 RMS(Cart)= 0.03019748 RMS(Int)= 0.97891965 Iteration 18 RMS(Cart)= 0.02935951 RMS(Int)= 0.97816204 Iteration 19 RMS(Cart)= 0.02875203 RMS(Int)= 0.97805898 Iteration 20 RMS(Cart)= 0.02168338 RMS(Int)= 0.97832176 Iteration 21 RMS(Cart)= 0.02078275 RMS(Int)= 0.97863467 Iteration 22 RMS(Cart)= 0.01961903 RMS(Int)= 0.97900486 Iteration 23 RMS(Cart)= 0.01879238 RMS(Int)= 0.97934828 Iteration 24 RMS(Cart)= 0.01834800 RMS(Int)= 0.97977457 Iteration 25 RMS(Cart)= 0.01799051 RMS(Int)= 0.98031675 Iteration 26 RMS(Cart)= 0.01766834 RMS(Int)= 0.98097640 Iteration 27 RMS(Cart)= 0.01735648 RMS(Int)= 0.98174628 Iteration 28 RMS(Cart)= 0.01704917 RMS(Int)= 0.98261773 Iteration 29 RMS(Cart)= 0.01674607 RMS(Int)= 0.98358273 Iteration 30 RMS(Cart)= 0.01644798 RMS(Int)= 0.98463422 Iteration 31 RMS(Cart)= 0.01615580 RMS(Int)= 0.98576603 Iteration 32 RMS(Cart)= 0.01587138 RMS(Int)= 0.98697278 Iteration 33 RMS(Cart)= 0.01597622 RMS(Int)= 0.98827079 Iteration 34 RMS(Cart)= 0.01601660 RMS(Int)= 0.98966591 Iteration 35 RMS(Cart)= 0.01600885 RMS(Int)= 0.99116226 Iteration 36 RMS(Cart)= 0.01598117 RMS(Int)= 0.99276235 Iteration 37 RMS(Cart)= 0.01364284 RMS(Int)= 0.99438649 Iteration 38 RMS(Cart)= 0.01076180 RMS(Int)= 0.99585948 Iteration 39 RMS(Cart)= 0.01031082 RMS(Int)= 0.99730337 Iteration 40 RMS(Cart)= 0.01011920 RMS(Int)= 0.99875715 Iteration 41 RMS(Cart)= 0.00995514 RMS(Int)= 1.00022943 Iteration 42 RMS(Cart)= 0.00980101 RMS(Int)= 1.00171779 Iteration 43 RMS(Cart)= 0.00965079 RMS(Int)= 1.00322094 Iteration 44 RMS(Cart)= 0.00950346 RMS(Int)= 1.00473738 Iteration 45 RMS(Cart)= 0.00935865 RMS(Int)= 1.00626550 Iteration 46 RMS(Cart)= 0.00921617 RMS(Int)= 1.00780365 Iteration 47 RMS(Cart)= 0.00907582 RMS(Int)= 1.00935023 Iteration 48 RMS(Cart)= 0.00890449 RMS(Int)= 1.01089785 Iteration 49 RMS(Cart)= 0.00871745 RMS(Int)= 1.01244379 Iteration 50 RMS(Cart)= 0.00853646 RMS(Int)= 1.01398737 Iteration 51 RMS(Cart)= 0.00720505 RMS(Int)= 1.01547071 Iteration 52 RMS(Cart)= 0.00627374 RMS(Int)= 1.01686725 Iteration 53 RMS(Cart)= 0.00571401 RMS(Int)= 1.01817973 Iteration 54 RMS(Cart)= 0.00527825 RMS(Int)= 1.01941481 Iteration 55 RMS(Cart)= 0.00491298 RMS(Int)= 1.02057886 Iteration 56 RMS(Cart)= 0.00459368 RMS(Int)= 1.02167749 Iteration 57 RMS(Cart)= 0.00430767 RMS(Int)= 1.02271562 Iteration 58 RMS(Cart)= 0.00404756 RMS(Int)= 1.02369756 Iteration 59 RMS(Cart)= 0.00358746 RMS(Int)= 1.02459473 Iteration 60 RMS(Cart)= 0.00310258 RMS(Int)= 1.02539471 Iteration 61 RMS(Cart)= 0.00278892 RMS(Int)= 1.02611898 Iteration 62 RMS(Cart)= 0.00253178 RMS(Int)= 1.02677813 Iteration 63 RMS(Cart)= 0.00230794 RMS(Int)= 1.02737965 Iteration 64 RMS(Cart)= 0.00210848 RMS(Int)= 1.02792953 Iteration 65 RMS(Cart)= 0.00192879 RMS(Int)= 1.02843281 Iteration 66 RMS(Cart)= 0.00176593 RMS(Int)= 1.02889385 Iteration 67 RMS(Cart)= 0.00161780 RMS(Int)= 1.02931649 Iteration 68 RMS(Cart)= 0.00148278 RMS(Int)= 1.02970414 Iteration 69 RMS(Cart)= 0.00135950 RMS(Int)= 1.03005985 Iteration 70 RMS(Cart)= 0.00124683 RMS(Int)= 1.03038636 Iteration 71 RMS(Cart)= 0.00114377 RMS(Int)= 1.03068616 Iteration 72 RMS(Cart)= 0.00104945 RMS(Int)= 1.03096148 Iteration 73 RMS(Cart)= 0.00096307 RMS(Int)= 1.03121439 Iteration 74 RMS(Cart)= 0.00088394 RMS(Int)= 1.03144673 Iteration 75 RMS(Cart)= 0.00081143 RMS(Int)= 1.03166022 Iteration 76 RMS(Cart)= 0.00074495 RMS(Int)= 1.03185639 Iteration 77 RMS(Cart)= 0.00068447 RMS(Int)= 1.03203668 Iteration 78 RMS(Cart)= 0.00062897 RMS(Int)= 1.03220237 Iteration 79 RMS(Cart)= 0.00057795 RMS(Int)= 1.03235464 Iteration 80 RMS(Cart)= 0.00053107 RMS(Int)= 1.03249459 Iteration 81 RMS(Cart)= 0.00048801 RMS(Int)= 1.03262321 Iteration 82 RMS(Cart)= 0.00044847 RMS(Int)= 1.03274144 Iteration 83 RMS(Cart)= 0.00041214 RMS(Int)= 1.03285012 Iteration 84 RMS(Cart)= 0.00037877 RMS(Int)= 1.03295002 Iteration 85 RMS(Cart)= 0.00034812 RMS(Int)= 1.03304186 Iteration 86 RMS(Cart)= 0.00031996 RMS(Int)= 1.03312629 Iteration 87 RMS(Cart)= 0.00029409 RMS(Int)= 1.03320392 Iteration 88 RMS(Cart)= 0.00027032 RMS(Int)= 1.03327528 Iteration 89 RMS(Cart)= 0.00024847 RMS(Int)= 1.03334090 Iteration 90 RMS(Cart)= 0.00022840 RMS(Int)= 1.03340123 Iteration 91 RMS(Cart)= 0.00020996 RMS(Int)= 1.03345669 Iteration 92 RMS(Cart)= 0.00019301 RMS(Int)= 1.03350769 Iteration 93 RMS(Cart)= 0.00017743 RMS(Int)= 1.03355458 Iteration 94 RMS(Cart)= 0.00016311 RMS(Int)= 1.03359769 Iteration 95 RMS(Cart)= 0.00014995 RMS(Int)= 1.03363734 Iteration 96 RMS(Cart)= 0.00013786 RMS(Int)= 1.03367379 Iteration 97 RMS(Cart)= 0.00012674 RMS(Int)= 1.03370730 Iteration 98 RMS(Cart)= 0.00011652 RMS(Int)= 1.03373812 Iteration 99 RMS(Cart)= 0.00010712 RMS(Int)= 1.03376645 Iteration100 RMS(Cart)= 0.00009849 RMS(Int)= 1.03379250 New curvilinear step not converged. OIter 1 Iteration 1 Try 1 RMS(Cart)= 0.82828116 RMS(Int)= 0.95467542 OIter 1 Iteration 2 Try 1 RMS(Cart)= 0.22421737 RMS(Int)= 0.94787498 OIter 1 Iteration 3 Try 1 RMS(Cart)= 0.11708626 RMS(Int)= 0.94726832 OIter 1 Iteration 4 Try 1 RMS(Cart)= 0.09072020 RMS(Int)= 0.94355206 OIter 1 Iteration 5 Try 1 RMS(Cart)= 0.06234569 RMS(Int)= 0.94249647 OIter 1 Iteration 6 Try 1 RMS(Cart)= 0.05133886 RMS(Int)= 0.94376082 OIter 1 Iteration 7 Try 1 RMS(Cart)= 0.04683934 RMS(Int)= 0.94378243 OIter 1 Iteration 8 Try 1 RMS(Cart)= 0.03895574 RMS(Int)= 0.94386260 OIter 1 Iteration 9 Try 1 RMS(Cart)= 0.03044641 RMS(Int)= 0.94213185 OIter 1 Iteration 10 Try 1 RMS(Cart)= 0.03000420 RMS(Int)= 0.94069223 OIter 1 Iteration 11 Try 1 RMS(Cart)= 0.02835354 RMS(Int)= 0.94148863 OIter 1 Iteration 12 Try 1 RMS(Cart)= 0.02373250 RMS(Int)= 0.94275875 OIter 1 Iteration 13 Try 1 RMS(Cart)= 0.02212846 RMS(Int)= 0.94314314 OIter 1 Iteration 14 Try 1 RMS(Cart)= 0.01994011 RMS(Int)= 0.94265471 OIter 1 Iteration 15 Try 1 RMS(Cart)= 0.01542528 RMS(Int)= 0.94158002 OIter 1 Iteration 16 Try 1 RMS(Cart)= 0.01472033 RMS(Int)= 0.94111685 OIter 1 Iteration 17 Try 1 RMS(Cart)= 0.01380260 RMS(Int)= 0.94168986 OIter 1 Iteration 18 Try 1 RMS(Cart)= 0.01134477 RMS(Int)= 0.94233995 OIter 1 Iteration 19 Try 1 RMS(Cart)= 0.01055656 RMS(Int)= 0.94249435 OIter 1 Iteration 20 Try 1 RMS(Cart)= 0.00955644 RMS(Int)= 0.94212863 OIter 1 Iteration 21 Try 1 RMS(Cart)= 0.00760484 RMS(Int)= 0.94160889 OIter 1 Iteration 22 Try 1 RMS(Cart)= 0.00727028 RMS(Int)= 0.94149452 OIter 1 Iteration 23 Try 1 RMS(Cart)= 0.00672810 RMS(Int)= 0.94181959 OIter 1 Iteration 24 Try 1 RMS(Cart)= 0.00551346 RMS(Int)= 0.94213765 OIter 1 Iteration 25 Try 1 RMS(Cart)= 0.00521499 RMS(Int)= 0.94217375 OIter 1 Iteration 26 Try 1 RMS(Cart)= 0.00472677 RMS(Int)= 0.94194574 OIter 1 Iteration 27 Try 1 RMS(Cart)= 0.00381958 RMS(Int)= 0.94170371 OIter 1 Iteration 28 Try 1 RMS(Cart)= 0.00369682 RMS(Int)= 0.94169422 OIter 1 Iteration 29 Try 1 RMS(Cart)= 0.00337904 RMS(Int)= 0.94187620 OIter 1 Iteration 30 Try 1 RMS(Cart)= 0.00275592 RMS(Int)= 0.94202818 OIter 1 Iteration 31 Try 1 RMS(Cart)= 0.00267347 RMS(Int)= 0.94201897 OIter 1 Iteration 32 Try 1 RMS(Cart)= 0.00239549 RMS(Int)= 0.94188563 OIter 1 Iteration 33 Try 1 RMS(Cart)= 0.00194641 RMS(Int)= 0.94177634 OIter 1 Iteration 34 Try 1 RMS(Cart)= 0.00192807 RMS(Int)= 0.94179474 OIter 1 Iteration 35 Try 1 RMS(Cart)= 0.00171581 RMS(Int)= 0.94189563 OIter 1 Iteration 36 Try 1 RMS(Cart)= 0.00140433 RMS(Int)= 0.94196461 OIter 1 Iteration 37 Try 1 RMS(Cart)= 0.00140140 RMS(Int)= 0.94194399 OIter 1 Iteration 38 Try 1 RMS(Cart)= 0.00121639 RMS(Int)= 0.94186966 OIter 1 Iteration 39 Try 1 RMS(Cart)= 0.00100588 RMS(Int)= 0.94182292 OIter 1 Iteration 40 Try 1 RMS(Cart)= 0.00101618 RMS(Int)= 0.94184407 Old curvilinear step not converged, using linear step RedCar/ORedCr failed for GTrans. Error termination via Lnk1e in C:\G09W\l101.exe at Tue Nov 27 13:29:41 2012. Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1