Entering Link 1 = C:\G09W\l1.exe PID= 4304. 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. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. 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 29-Nov-2012 ****************************************** %chk=\\ic.ac.uk\homes\sl2810\YEAR 3\Computational Labs\MODULE 3\CH2CHCH2\BOAT\Op timisationQST2.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; ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: C 2.54727 1.58152 -0.26832 C 1.48192 1.17638 0.42387 C 0.73907 -0.11245 0.20073 C -0.73907 0.11245 -0.20073 C -1.48192 -1.17638 -0.42387 C -2.54727 -1.58152 0.26832 H 0.75736 -0.7161 1.11982 H 1.24548 -0.70329 -0.57385 H -1.24548 0.70329 0.57385 H -0.75736 0.7161 -1.11982 H -1.08914 -1.81889 -1.21448 H -3.03817 -2.52931 0.06349 H -2.97373 -0.97661 1.06646 H 1.08914 1.81889 1.21448 H 3.03817 2.52931 -0.06349 H 2.97373 0.97661 -1.06646 ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: C -0.73907 0.11245 -0.20073 C -1.48192 -1.17638 -0.42387 C -2.54727 -1.58152 0.26832 C 2.54727 1.58152 -0.26832 C 1.48192 1.17638 0.42387 C 0.73907 -0.11245 0.20073 H 0.75736 -0.7161 1.11982 H 1.24548 -0.70329 -0.57385 H -1.24548 0.70329 0.57385 H -0.75736 0.7161 -1.11982 H -1.08914 -1.81889 -1.21448 H -3.03817 -2.52931 0.06349 H -2.97373 -0.97661 1.06646 H 1.08914 1.81889 1.21448 H 3.03817 2.52931 -0.06349 H 2.97373 0.97661 -1.06646 Iteration 1 RMS(Cart)= 0.09785972 RMS(Int)= 1.40031845 Iteration 2 RMS(Cart)= 0.08295180 RMS(Int)= 1.33917318 Iteration 3 RMS(Cart)= 0.08319736 RMS(Int)= 1.28227990 Iteration 4 RMS(Cart)= 0.08741425 RMS(Int)= 1.22841723 Iteration 5 RMS(Cart)= 0.09287542 RMS(Int)= 1.17710365 Iteration 6 RMS(Cart)= 0.09744683 RMS(Int)= 1.12857325 Iteration 7 RMS(Cart)= 0.09728678 RMS(Int)= 1.08387341 Iteration 8 RMS(Cart)= 0.09502701 RMS(Int)= 1.04390186 Iteration 9 RMS(Cart)= 0.09086551 RMS(Int)= 1.00935532 Iteration 10 RMS(Cart)= 0.08225538 RMS(Int)= 0.98023899 Iteration 11 RMS(Cart)= 0.07360946 RMS(Int)= 0.95701810 Iteration 12 RMS(Cart)= 0.06465841 RMS(Int)= 0.93906431 Iteration 13 RMS(Cart)= 0.06048207 RMS(Int)= 0.92563968 Iteration 14 RMS(Cart)= 0.05854695 RMS(Int)= 0.91596975 Iteration 15 RMS(Cart)= 0.05619402 RMS(Int)= 0.90868798 Iteration 16 RMS(Cart)= 0.05768464 RMS(Int)= 0.90293696 Iteration 17 RMS(Cart)= 0.06155838 RMS(Int)= 0.89859487 Iteration 18 RMS(Cart)= 0.06141997 RMS(Int)= 0.89293572 Iteration 19 RMS(Cart)= 0.05774458 RMS(Int)= 0.88670027 Iteration 20 RMS(Cart)= 0.06899183 RMS(Int)= 0.85456501 Iteration 21 RMS(Cart)= 0.06363391 RMS(Int)= 0.82641632 Iteration 22 RMS(Cart)= 0.05052294 RMS(Int)= 0.80833389 Iteration 23 RMS(Cart)= 0.03472558 RMS(Int)= 0.79523808 Iteration 24 RMS(Cart)= 0.02891071 RMS(Int)= 0.78560178 Iteration 25 RMS(Cart)= 0.02131303 RMS(Int)= 0.77848258 Iteration 26 RMS(Cart)= 0.01673902 RMS(Int)= 0.77298121 Iteration 27 RMS(Cart)= 0.01529523 RMS(Int)= 0.76861113 Iteration 28 RMS(Cart)= 0.01420374 RMS(Int)= 0.76508661 Iteration 29 RMS(Cart)= 0.01336211 RMS(Int)= 0.76223703 Iteration 30 RMS(Cart)= 0.01000872 RMS(Int)= 0.75982062 Iteration 31 RMS(Cart)= 0.00808614 RMS(Int)= 0.75765723 Iteration 32 RMS(Cart)= 0.00762734 RMS(Int)= 0.75575924 Iteration 33 RMS(Cart)= 0.00728963 RMS(Int)= 0.75405611 Iteration 34 RMS(Cart)= 0.00710340 RMS(Int)= 0.75248999 Iteration 35 RMS(Cart)= 0.00700302 RMS(Int)= 0.75103545 Iteration 36 RMS(Cart)= 0.00696699 RMS(Int)= 0.74963144 Iteration 37 RMS(Cart)= 0.00697645 RMS(Int)= 0.74826477 Iteration 38 RMS(Cart)= 0.00679786 RMS(Int)= 0.74691151 Iteration 39 RMS(Cart)= 0.00665220 RMS(Int)= 0.74558166 Iteration 40 RMS(Cart)= 0.00652878 RMS(Int)= 0.74428691 Iteration 41 RMS(Cart)= 0.00626553 RMS(Int)= 0.74301715 Iteration 42 RMS(Cart)= 0.00589645 RMS(Int)= 0.74177583 Iteration 43 RMS(Cart)= 0.00558517 RMS(Int)= 0.74057483 Iteration 44 RMS(Cart)= 0.00532258 RMS(Int)= 0.73941710 Iteration 45 RMS(Cart)= 0.00509029 RMS(Int)= 0.73831864 Iteration 46 RMS(Cart)= 0.00483451 RMS(Int)= 0.73729271 Iteration 47 RMS(Cart)= 0.00456376 RMS(Int)= 0.73634861 Iteration 48 RMS(Cart)= 0.00432732 RMS(Int)= 0.73548565 Iteration 49 RMS(Cart)= 0.00411877 RMS(Int)= 0.73470287 Iteration 50 RMS(Cart)= 0.00393539 RMS(Int)= 0.73399739 Iteration 51 RMS(Cart)= 0.00377653 RMS(Int)= 0.73336533 Iteration 52 RMS(Cart)= 0.00333974 RMS(Int)= 0.73273923 Iteration 53 RMS(Cart)= 0.00301732 RMS(Int)= 0.73211903 Iteration 54 RMS(Cart)= 0.00278218 RMS(Int)= 0.73153253 Iteration 55 RMS(Cart)= 0.00255299 RMS(Int)= 0.73098981 Iteration 56 RMS(Cart)= 0.00233142 RMS(Int)= 0.73049417 Iteration 57 RMS(Cart)= 0.00212322 RMS(Int)= 0.73004479 Iteration 58 RMS(Cart)= 0.00193180 RMS(Int)= 0.72963886 Iteration 59 RMS(Cart)= 0.00175833 RMS(Int)= 0.72927270 Iteration 60 RMS(Cart)= 0.00160259 RMS(Int)= 0.72894250 Iteration 61 RMS(Cart)= 0.00146364 RMS(Int)= 0.72864452 Iteration 62 RMS(Cart)= 0.00134019 RMS(Int)= 0.72837532 Iteration 63 RMS(Cart)= 0.00123079 RMS(Int)= 0.72813180 Iteration 64 RMS(Cart)= 0.00113399 RMS(Int)= 0.72791116 Iteration 65 RMS(Cart)= 0.00107588 RMS(Int)= 0.72770513 Iteration 66 RMS(Cart)= 0.00103415 RMS(Int)= 0.72751106 Iteration 67 RMS(Cart)= 0.00099874 RMS(Int)= 0.72732836 Iteration 68 RMS(Cart)= 0.00096985 RMS(Int)= 0.72715617 Iteration 69 RMS(Cart)= 0.00094671 RMS(Int)= 0.72699354 Iteration 70 RMS(Cart)= 0.00092842 RMS(Int)= 0.72683956 Iteration 71 RMS(Cart)= 0.00091416 RMS(Int)= 0.72669335 Iteration 72 RMS(Cart)= 0.00090320 RMS(Int)= 0.72655409 Iteration 73 RMS(Cart)= 0.00089490 RMS(Int)= 0.72642104 Iteration 74 RMS(Cart)= 0.00088873 RMS(Int)= 0.72629355 Iteration 75 RMS(Cart)= 0.00088425 RMS(Int)= 0.72617103 Iteration 76 RMS(Cart)= 0.00088112 RMS(Int)= 0.72605293 Iteration 77 RMS(Cart)= 0.00090577 RMS(Int)= 0.72593461 Iteration 78 RMS(Cart)= 0.00097140 RMS(Int)= 0.72581003 Iteration 79 RMS(Cart)= 0.00103761 RMS(Int)= 0.72567987 Iteration 80 RMS(Cart)= 0.00110558 RMS(Int)= 0.72554426 Iteration 81 RMS(Cart)= 0.00117625 RMS(Int)= 0.72540305 Iteration 82 RMS(Cart)= 0.00125023 RMS(Int)= 0.72525592 Iteration 83 RMS(Cart)= 0.00132810 RMS(Int)= 0.72510245 Iteration 84 RMS(Cart)= 0.00141038 RMS(Int)= 0.72494216 Iteration 85 RMS(Cart)= 0.00149761 RMS(Int)= 0.72477451 Iteration 86 RMS(Cart)= 0.00159033 RMS(Int)= 0.72459892 Iteration 87 RMS(Cart)= 0.00168911 RMS(Int)= 0.72441478 Iteration 88 RMS(Cart)= 0.00179454 RMS(Int)= 0.72422145 Iteration 89 RMS(Cart)= 0.00190727 RMS(Int)= 0.72401823 Iteration 90 RMS(Cart)= 0.00202797 RMS(Int)= 0.72380443 Iteration 91 RMS(Cart)= 0.00215739 RMS(Int)= 0.72357927 Iteration 92 RMS(Cart)= 0.00229636 RMS(Int)= 0.72334195 Iteration 93 RMS(Cart)= 0.00244577 RMS(Int)= 0.72309165 Iteration 94 RMS(Cart)= 0.00260663 RMS(Int)= 0.72282747 Iteration 95 RMS(Cart)= 0.00278003 RMS(Int)= 0.72254847 Iteration 96 RMS(Cart)= 0.00296721 RMS(Int)= 0.72225365 Iteration 97 RMS(Cart)= 0.00316953 RMS(Int)= 0.72194198 Iteration 98 RMS(Cart)= 0.00338850 RMS(Int)= 0.72161234 Iteration 99 RMS(Cart)= 0.00362583 RMS(Int)= 0.72126358 Iteration100 RMS(Cart)= 0.00388341 RMS(Int)= 0.72089449 New curvilinear step not converged. OIter 1 Iteration 1 Try 1 RMS(Cart)= 1.02919942 RMS(Int)= 1.07662456 OIter 1 Iteration 2 Try 1 RMS(Cart)= 0.28979413 RMS(Int)= 1.02725471 OIter 1 Iteration 3 Try 1 RMS(Cart)= 0.16276486 RMS(Int)= 1.01268927 OIter 1 Iteration 4 Try 1 RMS(Cart)= 0.10154110 RMS(Int)= 1.00094645 OIter 1 Iteration 5 Try 1 RMS(Cart)= 0.05975965 RMS(Int)= 0.99394705 OIter 1 Iteration 6 Try 1 RMS(Cart)= 0.04051374 RMS(Int)= 0.98988800 OIter 1 Iteration 7 Try 1 RMS(Cart)= 0.03303850 RMS(Int)= 0.98808903 OIter 1 Iteration 8 Try 1 RMS(Cart)= 0.02048353 RMS(Int)= 0.98832401 OIter 1 Iteration 9 Try 1 RMS(Cart)= 0.00958008 RMS(Int)= 0.98914149 OIter 1 Iteration 10 Try 1 RMS(Cart)= 0.00723156 RMS(Int)= 0.98958559 OIter 1 Iteration 11 Try 1 RMS(Cart)= 0.00530868 RMS(Int)= 0.98960958 OIter 1 Iteration 12 Try 1 RMS(Cart)= 0.00294414 RMS(Int)= 0.98943093 OIter 1 Iteration 13 Try 1 RMS(Cart)= 0.00202651 RMS(Int)= 0.98924655 OIter 1 Iteration 14 Try 1 RMS(Cart)= 0.00162313 RMS(Int)= 0.98915454 OIter 1 Iteration 15 Try 1 RMS(Cart)= 0.00099780 RMS(Int)= 0.98915000 OIter 1 Iteration 16 Try 1 RMS(Cart)= 0.00053343 RMS(Int)= 0.98918172 OIter 1 Iteration 17 Try 1 RMS(Cart)= 0.00037188 RMS(Int)= 0.98920839 OIter 1 Iteration 18 Try 1 RMS(Cart)= 0.00025404 RMS(Int)= 0.98921649 OIter 1 Iteration 19 Try 1 RMS(Cart)= 0.00014264 RMS(Int)= 0.98921147 OIter 1 Iteration 20 Try 1 RMS(Cart)= 0.00009468 RMS(Int)= 0.98920342 OIter 1 Iteration 21 Try 1 RMS(Cart)= 0.00007294 RMS(Int)= 0.98919846 OIter 1 Iteration 22 Try 1 RMS(Cart)= 0.00004592 RMS(Int)= 0.98919747 OIter 1 Iteration 23 Try 1 RMS(Cart)= 0.00002483 RMS(Int)= 0.98919856 OIter 1 Iteration 24 Try 1 RMS(Cart)= 0.00001567 RMS(Int)= 0.98919980 OIter 1 Iteration 25 Try 1 RMS(Cart)= 0.00001056 RMS(Int)= 0.98920033 OIter 1 Iteration 26 Try 1 RMS(Cart)= 0.00000619 RMS(Int)= 0.98920024 Iteration 1 RMS(Cart)= 0.14341112 RMS(Int)= 2.54109625 Iteration 2 RMS(Cart)= 0.13877448 RMS(Int)= 2.46189418 Iteration 3 RMS(Cart)= 0.13398588 RMS(Int)= 2.38340140 Iteration 4 RMS(Cart)= 0.13790398 RMS(Int)= 2.29933509 Iteration 5 RMS(Cart)= 0.11789850 RMS(Int)= 2.22598478 Iteration 6 RMS(Cart)= 0.01087148 RMS(Int)= 2.21873481 Iteration 7 RMS(Cart)= 0.01090073 RMS(Int)= 2.21145488 Iteration 8 RMS(Cart)= 0.01093160 RMS(Int)= 2.20414415 Iteration 9 RMS(Cart)= 0.01096405 RMS(Int)= 2.19680042 Iteration 10 RMS(Cart)= 0.01099713 RMS(Int)= 2.20140345 Iteration 11 RMS(Cart)= 0.13444237 RMS(Int)= 2.11530160 Iteration 12 RMS(Cart)= 0.13536886 RMS(Int)= 2.03000877 Iteration 13 RMS(Cart)= 0.13137996 RMS(Int)= 1.94642789 Iteration 14 RMS(Cart)= 0.11888216 RMS(Int)= 1.86702757 Iteration 15 RMS(Cart)= 0.01043781 RMS(Int)= 1.85911123 Iteration 16 RMS(Cart)= 0.00658433 RMS(Int)= 1.85409751 Iteration 17 RMS(Cart)= 0.00608374 RMS(Int)= 1.84945373 Iteration 18 RMS(Cart)= 0.00450834 RMS(Int)= 1.84600390 Iteration 19 RMS(Cart)= 0.00438166 RMS(Int)= 1.84264494 Iteration 20 RMS(Cart)= 0.00429304 RMS(Int)= 1.83934790 Iteration 21 RMS(Cart)= 0.00423076 RMS(Int)= 1.83609264 Iteration 22 RMS(Cart)= 0.00418669 RMS(Int)= 1.83286514 Iteration 23 RMS(Cart)= 0.00415542 RMS(Int)= 1.82965548 Iteration 24 RMS(Cart)= 0.00413328 RMS(Int)= 1.82645647 Iteration 25 RMS(Cart)= 0.00411777 RMS(Int)= 1.82326286 Iteration 26 RMS(Cart)= 0.00410259 RMS(Int)= 1.82007250 Iteration 27 RMS(Cart)= 0.00408469 RMS(Int)= 1.81688495 Iteration 28 RMS(Cart)= 0.00407004 RMS(Int)= 1.81369767 Iteration 29 RMS(Cart)= 0.00404952 RMS(Int)= 1.81051259 Iteration 30 RMS(Cart)= 0.00402973 RMS(Int)= 1.80732869 Iteration 31 RMS(Cart)= 0.00401169 RMS(Int)= 1.80414458 Iteration 32 RMS(Cart)= 0.00399500 RMS(Int)= 1.80095919 Iteration 33 RMS(Cart)= 0.00397932 RMS(Int)= 1.79777166 Iteration 34 RMS(Cart)= 0.00396349 RMS(Int)= 1.79458113 Iteration 35 RMS(Cart)= 0.00394825 RMS(Int)= 1.79138707 Iteration 36 RMS(Cart)= 0.00393340 RMS(Int)= 1.78818898 Iteration 37 RMS(Cart)= 0.00391880 RMS(Int)= 1.78498639 Iteration 38 RMS(Cart)= 0.00390429 RMS(Int)= 1.78177850 Iteration 39 RMS(Cart)= 0.00388978 RMS(Int)= 1.77856359 Iteration 40 RMS(Cart)= 0.00387517 RMS(Int)= 1.77533469 Iteration 41 RMS(Cart)= 0.00385728 RMS(Int)= 1.77022969 Iteration 42 RMS(Cart)= 0.00381884 RMS(Int)= 1.74570519 Iteration 43 RMS(Cart)= 0.00995916 RMS(Int)= 1.73678632 Iteration 44 RMS(Cart)= 0.00958869 RMS(Int)= 1.72801714 Iteration 45 RMS(Cart)= 0.00926138 RMS(Int)= 1.71928686 Iteration 46 RMS(Cart)= 0.00896726 RMS(Int)= 1.68844445 Iteration 47 RMS(Cart)= 0.09693542 RMS(Int)= 1.59645184 Iteration 48 RMS(Cart)= 0.07283526 RMS(Int)= 1.51462767 Iteration 49 RMS(Cart)= 0.04542400 RMS(Int)= 1.45805386 Iteration 50 RMS(Cart)= 0.00201663 RMS(Int)= 1.45542036 Iteration 51 RMS(Cart)= 0.00201717 RMS(Int)= 1.45278189 Iteration 52 RMS(Cart)= 0.00201596 RMS(Int)= 1.45014079 Iteration 53 RMS(Cart)= 0.00201329 RMS(Int)= 1.44749903 Iteration 54 RMS(Cart)= 0.00200939 RMS(Int)= 1.44485828 Iteration 55 RMS(Cart)= 0.00200076 RMS(Int)= 1.44222537 Iteration 56 RMS(Cart)= 0.00199047 RMS(Int)= 1.43960274 Iteration 57 RMS(Cart)= 0.00197996 RMS(Int)= 1.43699075 Iteration 58 RMS(Cart)= 0.00196931 RMS(Int)= 1.43438969 Iteration 59 RMS(Cart)= 0.00195856 RMS(Int)= 1.43179976 Iteration 60 RMS(Cart)= 0.00194744 RMS(Int)= 1.42922145 Iteration 61 RMS(Cart)= 0.00193598 RMS(Int)= 1.42665520 Iteration 62 RMS(Cart)= 0.00192457 RMS(Int)= 1.42410103 Iteration 63 RMS(Cart)= 0.00191321 RMS(Int)= 1.42155891 Iteration 64 RMS(Cart)= 0.00190196 RMS(Int)= 1.41902880 Iteration 65 RMS(Cart)= 0.00189080 RMS(Int)= 1.41651062 Iteration 66 RMS(Cart)= 0.00224591 RMS(Int)= 1.41351627 Iteration 67 RMS(Cart)= 0.00224745 RMS(Int)= 1.41051582 Iteration 68 RMS(Cart)= 0.00224872 RMS(Int)= 1.40750963 Iteration 69 RMS(Cart)= 0.00224975 RMS(Int)= 1.40449801 Iteration 70 RMS(Cart)= 0.00224687 RMS(Int)= 1.40148569 Iteration 71 RMS(Cart)= 0.00224306 RMS(Int)= 1.39847381 Iteration 72 RMS(Cart)= 0.00223934 RMS(Int)= 1.39546225 Iteration 73 RMS(Cart)= 0.00223568 RMS(Int)= 1.39245095 Iteration 74 RMS(Cart)= 0.00223203 RMS(Int)= 1.38943990 Iteration 75 RMS(Cart)= 0.00222832 RMS(Int)= 1.38642917 Iteration 76 RMS(Cart)= 0.00222427 RMS(Int)= 1.38341919 Iteration 77 RMS(Cart)= 0.00221993 RMS(Int)= 1.38041023 Iteration 78 RMS(Cart)= 0.00221535 RMS(Int)= 1.37740237 Iteration 79 RMS(Cart)= 0.00221033 RMS(Int)= 1.37439624 Iteration 80 RMS(Cart)= 0.00220470 RMS(Int)= 1.37139271 Iteration 81 RMS(Cart)= 0.00219814 RMS(Int)= 1.36839319 Iteration 82 RMS(Cart)= 0.00219045 RMS(Int)= 1.36539943 Iteration 83 RMS(Cart)= 0.00218120 RMS(Int)= 1.36241395 Iteration 84 RMS(Cart)= 0.00216975 RMS(Int)= 1.35944056 Iteration 85 RMS(Cart)= 0.00215677 RMS(Int)= 1.35648277 Iteration 86 RMS(Cart)= 0.00214775 RMS(Int)= 1.35353938 Iteration 87 RMS(Cart)= 0.00213882 RMS(Int)= 1.35063971 Iteration 88 RMS(Cart)= 0.00213003 RMS(Int)= 1.37012313 Iteration 89 RMS(Cart)= 0.03283847 RMS(Int)= 1.32748258 Iteration 90 RMS(Cart)= 0.01160775 RMS(Int)= 1.31176623 Iteration 91 RMS(Cart)= 0.00266168 RMS(Int)= 1.30811931 Iteration 92 RMS(Cart)= 0.00251377 RMS(Int)= 1.30466481 Iteration 93 RMS(Cart)= 0.00241006 RMS(Int)= 1.30134366 Iteration 94 RMS(Cart)= 0.00232943 RMS(Int)= 1.29812526 Iteration 95 RMS(Cart)= 0.00226327 RMS(Int)= 1.29499058 Iteration 96 RMS(Cart)= 0.00220734 RMS(Int)= 1.29192625 Iteration 97 RMS(Cart)= 0.00210761 RMS(Int)= 1.28899395 Iteration 98 RMS(Cart)= 0.00207155 RMS(Int)= 1.28610584 Iteration 99 RMS(Cart)= 0.00203927 RMS(Int)= 1.28325703 Iteration100 RMS(Cart)= 0.00201031 RMS(Int)= 1.28044326 New curvilinear step not converged. OIter 1 Iteration 1 Try 1 RMS(Cart)= 1.98933786 RMS(Int)= 2.18640616 OIter 1 Iteration 2 Try 1 RMS(Cart)= 1.82745828 RMS(Int)= 3.61233119 OIter 1 Iteration 3 Try 1 RMS(Cart)= 3.41125727 RMS(Int)= 7.01479077 Old curvilinear step not converged, using linear step RedCar/ORedCr failed for GTrans. Error termination via Lnk1e in C:\G09W\l101.exe at Thu Nov 29 13:35:02 2012. Job cpu time: 0 days 0 hours 0 minutes 1.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1