Entering Link 1 = C:\G09W\l1.exe PID= 5692. 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 06-Feb-2013 ****************************************** %mem=250MB %chk=\\ic.ac.uk\homes\mc1210\Desktop\module 3\part_2\optimisation boat transitio n\BOAT_OPTIMISATION_631g.chk ---------------------------------------------------------------------- # opt=(calcfc,ts,noeigen) rb3lyp/6-31g(d) scrf=check guess=tcheck geom =connectivity ---------------------------------------------------------------------- 1/5=1,10=4,11=1,14=-1,18=20,26=3,38=1,40=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,70=2,71=2,74=-5,116=1/1,2,3; 4/5=101/1; 5/5=2/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1,7=6,13=1/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7/10=1,18=20,25=1/1,2,3,16; 1/5=1,10=4,11=1,14=-1,18=20/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,70=5,71=1,74=-5,116=1/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,11=1,14=-1,18=20/3(-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 0.17856 1.20623 1.0705 C -0.41436 0. 1.38935 C 0.17856 -1.20618 1.07082 C 0.17856 -1.20618 -1.07082 C -0.41436 0. -1.38935 C 0.17856 1.20623 -1.0705 H -0.33994 2.124 1.27569 H -1.47618 -0.00003 1.56598 H -1.47618 -0.00003 -1.56598 H 1.24993 1.28013 -1.09598 H -0.33994 2.124 -1.27569 H 1.24993 1.28013 1.09598 H -0.34029 -2.12383 1.27575 H 1.24991 -1.28059 1.09707 H 1.24991 -1.28059 -1.09707 H -0.34029 -2.12383 -1.27575 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3814 calculate D2E/DX2 analytically ! ! R2 R(1,6) 2.141 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0739 calculate D2E/DX2 analytically ! ! R4 R(1,10) 2.418 calculate D2E/DX2 analytically ! ! R5 R(1,11) 2.5721 calculate D2E/DX2 analytically ! ! R6 R(1,12) 1.0742 calculate D2E/DX2 analytically ! ! R7 R(2,3) 1.3813 calculate D2E/DX2 analytically ! ! R8 R(2,5) 2.7787 calculate D2E/DX2 analytically ! ! R9 R(2,8) 1.0764 calculate D2E/DX2 analytically ! ! R10 R(3,4) 2.1416 calculate D2E/DX2 analytically ! ! R11 R(3,13) 1.0739 calculate D2E/DX2 analytically ! ! R12 R(3,14) 1.0743 calculate D2E/DX2 analytically ! ! R13 R(3,15) 2.4193 calculate D2E/DX2 analytically ! ! R14 R(3,16) 2.5725 calculate D2E/DX2 analytically ! ! R15 R(4,5) 1.3813 calculate D2E/DX2 analytically ! ! R16 R(4,13) 2.5725 calculate D2E/DX2 analytically ! ! R17 R(4,14) 2.4193 calculate D2E/DX2 analytically ! ! R18 R(4,15) 1.0743 calculate D2E/DX2 analytically ! ! R19 R(4,16) 1.0739 calculate D2E/DX2 analytically ! ! R20 R(5,6) 1.3814 calculate D2E/DX2 analytically ! ! R21 R(5,9) 1.0764 calculate D2E/DX2 analytically ! ! R22 R(6,7) 2.5721 calculate D2E/DX2 analytically ! ! R23 R(6,10) 1.0742 calculate D2E/DX2 analytically ! ! R24 R(6,11) 1.0739 calculate D2E/DX2 analytically ! ! R25 R(6,12) 2.418 calculate D2E/DX2 analytically ! ! A1 A(2,1,6) 103.3452 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 119.6646 calculate D2E/DX2 analytically ! ! A3 A(2,1,10) 115.0661 calculate D2E/DX2 analytically ! ! A4 A(2,1,11) 115.8231 calculate D2E/DX2 analytically ! ! A5 A(2,1,12) 118.86 calculate D2E/DX2 analytically ! ! A6 A(7,1,10) 111.0391 calculate D2E/DX2 analytically ! ! A7 A(7,1,11) 76.8219 calculate D2E/DX2 analytically ! ! A8 A(7,1,12) 114.7227 calculate D2E/DX2 analytically ! ! A9 A(10,1,11) 42.366 calculate D2E/DX2 analytically ! ! A10 A(10,1,12) 64.9913 calculate D2E/DX2 analytically ! ! A11 A(11,1,12) 101.428 calculate D2E/DX2 analytically ! ! A12 A(1,2,3) 121.6718 calculate D2E/DX2 analytically ! ! A13 A(1,2,5) 76.6548 calculate D2E/DX2 analytically ! ! A14 A(1,2,8) 117.4711 calculate D2E/DX2 analytically ! ! A15 A(3,2,5) 76.6671 calculate D2E/DX2 analytically ! ! A16 A(3,2,8) 117.4682 calculate D2E/DX2 analytically ! ! A17 A(5,2,8) 99.4446 calculate D2E/DX2 analytically ! ! A18 A(2,3,4) 103.3329 calculate D2E/DX2 analytically ! ! A19 A(2,3,13) 119.6557 calculate D2E/DX2 analytically ! ! A20 A(2,3,14) 118.8784 calculate D2E/DX2 analytically ! ! A21 A(2,3,15) 115.0616 calculate D2E/DX2 analytically ! ! A22 A(2,3,16) 115.8033 calculate D2E/DX2 analytically ! ! A23 A(13,3,14) 114.7071 calculate D2E/DX2 analytically ! ! A24 A(13,3,15) 111.0179 calculate D2E/DX2 analytically ! ! A25 A(13,3,16) 76.8093 calculate D2E/DX2 analytically ! ! A26 A(14,3,15) 65.0474 calculate D2E/DX2 analytically ! ! A27 A(14,3,16) 101.4626 calculate D2E/DX2 analytically ! ! A28 A(15,3,16) 42.3503 calculate D2E/DX2 analytically ! ! A29 A(3,4,5) 103.3329 calculate D2E/DX2 analytically ! ! A30 A(5,4,13) 115.8033 calculate D2E/DX2 analytically ! ! A31 A(5,4,14) 115.0616 calculate D2E/DX2 analytically ! ! A32 A(5,4,15) 118.8784 calculate D2E/DX2 analytically ! ! A33 A(5,4,16) 119.6557 calculate D2E/DX2 analytically ! ! A34 A(13,4,14) 42.3503 calculate D2E/DX2 analytically ! ! A35 A(13,4,15) 101.4626 calculate D2E/DX2 analytically ! ! A36 A(13,4,16) 76.8093 calculate D2E/DX2 analytically ! ! A37 A(14,4,15) 65.0474 calculate D2E/DX2 analytically ! ! A38 A(14,4,16) 111.0179 calculate D2E/DX2 analytically ! ! A39 A(15,4,16) 114.7071 calculate D2E/DX2 analytically ! ! A40 A(2,5,4) 76.6671 calculate D2E/DX2 analytically ! ! A41 A(2,5,6) 76.6548 calculate D2E/DX2 analytically ! ! A42 A(2,5,9) 99.4446 calculate D2E/DX2 analytically ! ! A43 A(4,5,6) 121.6718 calculate D2E/DX2 analytically ! ! A44 A(4,5,9) 117.4682 calculate D2E/DX2 analytically ! ! A45 A(6,5,9) 117.4711 calculate D2E/DX2 analytically ! ! A46 A(1,6,5) 103.3452 calculate D2E/DX2 analytically ! ! A47 A(5,6,7) 115.8231 calculate D2E/DX2 analytically ! ! A48 A(5,6,10) 118.86 calculate D2E/DX2 analytically ! ! A49 A(5,6,11) 119.6646 calculate D2E/DX2 analytically ! ! A50 A(5,6,12) 115.0661 calculate D2E/DX2 analytically ! ! A51 A(7,6,10) 101.428 calculate D2E/DX2 analytically ! ! A52 A(7,6,11) 76.8219 calculate D2E/DX2 analytically ! ! A53 A(7,6,12) 42.366 calculate D2E/DX2 analytically ! ! A54 A(10,6,11) 114.7227 calculate D2E/DX2 analytically ! ! A55 A(10,6,12) 64.9913 calculate D2E/DX2 analytically ! ! A56 A(11,6,12) 111.0391 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) 64.8598 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,5) 0.0 calculate D2E/DX2 analytically ! ! D3 D(6,1,2,8) -93.8268 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,3) 176.0282 calculate D2E/DX2 analytically ! ! D5 D(7,1,2,5) 111.1684 calculate D2E/DX2 analytically ! ! D6 D(7,1,2,8) 17.3416 calculate D2E/DX2 analytically ! ! D7 D(10,1,2,3) 39.7664 calculate D2E/DX2 analytically ! ! D8 D(10,1,2,5) -25.0934 calculate D2E/DX2 analytically ! ! D9 D(10,1,2,8) -118.9202 calculate D2E/DX2 analytically ! ! D10 D(11,1,2,3) 86.9362 calculate D2E/DX2 analytically ! ! D11 D(11,1,2,5) 22.0764 calculate D2E/DX2 analytically ! ! D12 D(11,1,2,8) -71.7504 calculate D2E/DX2 analytically ! ! D13 D(12,1,2,3) -34.2639 calculate D2E/DX2 analytically ! ! D14 D(12,1,2,5) -99.1237 calculate D2E/DX2 analytically ! ! D15 D(12,1,2,8) 167.0495 calculate D2E/DX2 analytically ! ! D16 D(2,1,6,5) 0.0 calculate D2E/DX2 analytically ! ! D17 D(1,2,3,4) -64.8536 calculate D2E/DX2 analytically ! ! D18 D(1,2,3,13) -175.9911 calculate D2E/DX2 analytically ! ! D19 D(1,2,3,14) 34.3182 calculate D2E/DX2 analytically ! ! D20 D(1,2,3,15) -39.7828 calculate D2E/DX2 analytically ! ! D21 D(1,2,3,16) -86.9301 calculate D2E/DX2 analytically ! ! D22 D(5,2,3,4) 0.0 calculate D2E/DX2 analytically ! ! D23 D(5,2,3,13) -111.1376 calculate D2E/DX2 analytically ! ! D24 D(5,2,3,14) 99.1717 calculate D2E/DX2 analytically ! ! D25 D(5,2,3,15) 25.0707 calculate D2E/DX2 analytically ! ! D26 D(5,2,3,16) -22.0765 calculate D2E/DX2 analytically ! ! D27 D(8,2,3,4) 93.8336 calculate D2E/DX2 analytically ! ! D28 D(8,2,3,13) -17.3039 calculate D2E/DX2 analytically ! ! D29 D(8,2,3,14) -166.9946 calculate D2E/DX2 analytically ! ! D30 D(8,2,3,15) 118.9044 calculate D2E/DX2 analytically ! ! D31 D(8,2,3,16) 71.7571 calculate D2E/DX2 analytically ! ! D32 D(1,2,5,4) 127.6469 calculate D2E/DX2 analytically ! ! D33 D(1,2,5,6) 0.0 calculate D2E/DX2 analytically ! ! D34 D(1,2,5,9) -116.1776 calculate D2E/DX2 analytically ! ! D35 D(3,2,5,4) 0.0 calculate D2E/DX2 analytically ! ! D36 D(3,2,5,6) -127.6469 calculate D2E/DX2 analytically ! ! D37 D(3,2,5,9) 116.1755 calculate D2E/DX2 analytically ! ! D38 D(8,2,5,4) -116.1755 calculate D2E/DX2 analytically ! ! D39 D(8,2,5,6) 116.1776 calculate D2E/DX2 analytically ! ! D40 D(8,2,5,9) 0.0 calculate D2E/DX2 analytically ! ! D41 D(2,3,4,5) 0.0 calculate D2E/DX2 analytically ! ! D42 D(3,4,5,2) 0.0 calculate D2E/DX2 analytically ! ! D43 D(3,4,5,6) 64.8536 calculate D2E/DX2 analytically ! ! D44 D(3,4,5,9) -93.8336 calculate D2E/DX2 analytically ! ! D45 D(13,4,5,2) 22.0765 calculate D2E/DX2 analytically ! ! D46 D(13,4,5,6) 86.9301 calculate D2E/DX2 analytically ! ! D47 D(13,4,5,9) -71.7571 calculate D2E/DX2 analytically ! ! D48 D(14,4,5,2) -25.0707 calculate D2E/DX2 analytically ! ! D49 D(14,4,5,6) 39.7828 calculate D2E/DX2 analytically ! ! D50 D(14,4,5,9) -118.9044 calculate D2E/DX2 analytically ! ! D51 D(15,4,5,2) -99.1717 calculate D2E/DX2 analytically ! ! D52 D(15,4,5,6) -34.3182 calculate D2E/DX2 analytically ! ! D53 D(15,4,5,9) 166.9946 calculate D2E/DX2 analytically ! ! D54 D(16,4,5,2) 111.1376 calculate D2E/DX2 analytically ! ! D55 D(16,4,5,6) 175.9911 calculate D2E/DX2 analytically ! ! D56 D(16,4,5,9) 17.3039 calculate D2E/DX2 analytically ! ! D57 D(2,5,6,1) 0.0 calculate D2E/DX2 analytically ! ! D58 D(2,5,6,7) -22.0764 calculate D2E/DX2 analytically ! ! D59 D(2,5,6,10) 99.1237 calculate D2E/DX2 analytically ! ! D60 D(2,5,6,11) -111.1684 calculate D2E/DX2 analytically ! ! D61 D(2,5,6,12) 25.0934 calculate D2E/DX2 analytically ! ! D62 D(4,5,6,1) -64.8598 calculate D2E/DX2 analytically ! ! D63 D(4,5,6,7) -86.9362 calculate D2E/DX2 analytically ! ! D64 D(4,5,6,10) 34.2639 calculate D2E/DX2 analytically ! ! D65 D(4,5,6,11) -176.0282 calculate D2E/DX2 analytically ! ! D66 D(4,5,6,12) -39.7664 calculate D2E/DX2 analytically ! ! D67 D(9,5,6,1) 93.8268 calculate D2E/DX2 analytically ! ! D68 D(9,5,6,7) 71.7504 calculate D2E/DX2 analytically ! ! D69 D(9,5,6,10) -167.0495 calculate D2E/DX2 analytically ! ! D70 D(9,5,6,11) -17.3416 calculate D2E/DX2 analytically ! ! D71 D(9,5,6,12) 118.9202 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 100 maximum allowed number of steps= 100. Search for a saddle point of order 1. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.178559 1.206234 1.070502 2 6 0 -0.414355 -0.000003 1.389350 3 6 0 0.178559 -1.206176 1.070820 4 6 0 0.178559 -1.206176 -1.070820 5 6 0 -0.414355 -0.000003 -1.389350 6 6 0 0.178559 1.206234 -1.070502 7 1 0 -0.339940 2.123999 1.275693 8 1 0 -1.476183 -0.000034 1.565983 9 1 0 -1.476183 -0.000034 -1.565983 10 1 0 1.249930 1.280125 -1.095975 11 1 0 -0.339940 2.123999 -1.275693 12 1 0 1.249930 1.280125 1.095975 13 1 0 -0.340290 -2.123829 1.275749 14 1 0 1.249908 -1.280590 1.097072 15 1 0 1.249908 -1.280590 -1.097072 16 1 0 -0.340290 -2.123829 -1.275749 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.381383 0.000000 3 C 2.412410 1.381254 0.000000 4 C 3.225675 2.803362 2.141640 0.000000 5 C 2.803110 2.778700 2.803362 1.381254 0.000000 6 C 2.141004 2.803110 3.225675 2.412410 1.381383 7 H 1.073889 2.128342 3.376519 4.106705 3.408721 8 H 2.106835 1.076419 2.106688 3.338515 3.140298 9 H 3.338309 3.140298 3.338515 2.106688 1.076419 10 H 2.418040 3.253523 3.467640 2.707427 2.120057 11 H 2.572113 3.408721 4.106705 3.376519 2.128342 12 H 1.074218 2.120057 2.707427 3.467640 3.253523 13 H 3.376485 2.128151 1.073912 2.572485 3.408647 14 H 2.707912 2.120165 1.074251 2.419314 3.254530 15 H 3.468495 3.254530 2.419314 1.074251 2.120165 16 H 4.106509 3.408647 2.572485 1.073912 2.128151 6 7 8 9 10 6 C 0.000000 7 H 2.572113 0.000000 8 H 3.338309 2.426280 0.000000 9 H 2.106835 3.725277 3.131966 0.000000 10 H 1.074218 2.977351 4.019517 3.048181 0.000000 11 H 1.073889 2.551386 3.725277 2.426280 1.808897 12 H 2.418040 1.808897 3.048181 4.019517 2.191950 13 H 4.106509 4.247828 2.425901 3.725077 4.443059 14 H 3.468495 3.761748 3.048159 4.020355 3.371456 15 H 2.707912 4.443969 4.020355 3.048159 2.560715 16 H 3.376485 4.955189 3.725077 2.425901 3.761386 11 12 13 14 15 11 H 0.000000 12 H 2.977351 0.000000 13 H 4.955189 3.761386 0.000000 14 H 4.443969 2.560715 1.808786 0.000000 15 H 3.761748 3.371456 2.978265 2.194144 0.000000 16 H 4.247828 4.443059 2.551498 2.978265 1.808786 16 16 H 0.000000 Stoichiometry C6H10 Framework group CS[X(C6H10)] Deg. of freedom 21 Full point group CS NOp 2 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup CS NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.178559 1.206234 1.070502 2 6 0 -0.414355 -0.000003 1.389350 3 6 0 0.178559 -1.206176 1.070820 4 6 0 0.178559 -1.206176 -1.070820 5 6 0 -0.414355 -0.000003 -1.389350 6 6 0 0.178559 1.206234 -1.070502 7 1 0 -0.339940 2.123999 1.275693 8 1 0 -1.476183 -0.000034 1.565983 9 1 0 -1.476183 -0.000034 -1.565983 10 1 0 1.249930 1.280125 -1.095975 11 1 0 -0.339940 2.123999 -1.275693 12 1 0 1.249930 1.280125 1.095975 13 1 0 -0.340290 -2.123829 1.275749 14 1 0 1.249908 -1.280590 1.097072 15 1 0 1.249908 -1.280590 -1.097072 16 1 0 -0.340290 -2.123829 -1.275749 --------------------------------------------------------------------- Rotational constants (GHZ): 4.5352912 3.7573782 2.3801414 Standard basis: 6-31G(d) (6D, 7F) There are 55 symmetry adapted basis functions of A' symmetry. There are 55 symmetry adapted basis functions of A" symmetry. Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 110 basis functions, 208 primitive gaussians, 110 cartesian basis functions 23 alpha electrons 23 beta electrons nuclear repulsion energy 228.8259627683 Hartrees. NAtoms= 16 NActive= 16 NUniq= 8 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 110 RedAO= T NBF= 55 55 NBsUse= 110 1.00D-06 NBFU= 55 55 No guess information found on chk file. Error termination via Lnk1e in C:\G09W\l401.exe at Wed Feb 06 18:04:33 2013. Job cpu time: 0 days 0 hours 0 minutes 5.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1