Entering Link 1 = C:\Gaussian\l1.exe PID= 152. Copyright (c) 1988,1990,1992,1993,1995,1998,2003, Gaussian, Inc. All Rights Reserved. This is the Gaussian(R) 03 program. It is based on the 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 DFARS: RESTRICTED RIGHTS LEGEND Use, duplication or disclosure by the US Government is subject to restrictions as set forth in subparagraph (c)(1)(ii) of the Rights in Technical Data and Computer Software clause at DFARS 252.227-7013. Gaussian, Inc. Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA 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 subparagraph (c) of the Commercial Computer Software - Restricted Rights clause at FAR 52.227-19. Gaussian, Inc. Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA --------------------------------------------------------------- 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 03, Revision B.04, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 2003. ********************************************* Gaussian 03: x86-Win32-G03RevB.04 2-Jun-2003 08-Jun-2004 ********************************************* %chk=PhCCCC.chk %mem=100MB %nproc=1 Will use up to 1 processors via shared memory. Default route: MaxDisk=2000MB --------------------------------------------------------------------- #p b3lyp/sto-3g guess=read geom=allcheck pop=full iop(3/33=1,3/36=-1) --------------------------------------------------------------------- 1/29=7,38=1/1; 2/40=1/2; 3/6=3,11=2,16=1,25=1,30=1,33=1,36=-1,74=-5/1,2,3; 4/5=1/1; 5/5=2,32=1,38=6/2; 6/7=3,28=1/1; 99/5=1,9=1/99; Leave Link 1 at Tue Jun 08 16:54:24 2004, MaxMem= 13107200 cpu: 2.0 (Enter C:\Gaussian\l101.exe) ------------------- Title Card Required ------------------- Redundant internal coordinates taken from checkpoint file: PhCCCC.chk Charge = 0 Multiplicity = 1 C,0,-1.2665282314,0.,-0.6759234384 C,0,-1.1952729704,0.,0.7434426948 C,0,0.042966895,0.,1.4013577942 C,0,1.2665282314,0.,0.6759234384 C,0,1.1952729704,0.,-0.7434426948 H,0,-2.1195673318,0.,1.3354294411 H,0,0.074520287,0.,2.4995668645 H,0,2.1195673318,0.,-1.3354294411 C,0,2.5613291298,0.,1.4284632991 C,0,3.7965105345,0.,0.8980075471 H,0,3.9756208258,0.,-0.1832480927 H,0,2.4514372375,0.,2.5233689466 H,0,4.688629921,0.,1.5350627896 C,0,-2.5613291298,0.,-1.4284632991 H,0,-2.4514372375,0.,-2.5233689466 C,0,-3.7965105345,0.,-0.8980075471 H,0,-3.9756208258,0.,0.1832480927 H,0,-4.688629921,0.,-1.5350627896 C,0,-0.042966895,0.,-1.4013577942 H,0,-0.074520287,0.,-2.4995668645 Recover connectivity data from disk. Isotopes and Nuclear Properties: Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 12 12 12 12 12 1 1 1 12 12 AtmWgt= 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 IAtSpn= 0 0 0 0 0 1 1 1 0 0 AtZEff= -3.6000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 AtQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 AtGFac= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 Atom 11 12 13 14 15 16 17 18 19 20 IAtWgt= 1 1 1 12 1 12 1 1 12 1 AtmWgt= 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 IAtSpn= 1 1 1 0 1 0 1 1 0 1 AtZEff= -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 AtQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 AtGFac= 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 Leave Link 101 at Tue Jun 08 16:54:25 2004, MaxMem= 13107200 cpu: 0.0 (Enter C:\Gaussian\l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.266528 0.000000 -0.675923 2 6 0 -1.195273 0.000000 0.743443 3 6 0 0.042967 0.000000 1.401358 4 6 0 1.266528 0.000000 0.675923 5 6 0 1.195273 0.000000 -0.743443 6 1 0 -2.119567 0.000000 1.335429 7 1 0 0.074520 0.000000 2.499567 8 1 0 2.119567 0.000000 -1.335429 9 6 0 2.561329 0.000000 1.428463 10 6 0 3.796511 0.000000 0.898008 11 1 0 3.975621 0.000000 -0.183248 12 1 0 2.451437 0.000000 2.523369 13 1 0 4.688630 0.000000 1.535063 14 6 0 -2.561329 0.000000 -1.428463 15 1 0 -2.451437 0.000000 -2.523369 16 6 0 -3.796511 0.000000 -0.898008 17 1 0 -3.975621 0.000000 0.183248 18 1 0 -4.688630 0.000000 -1.535063 19 6 0 -0.042967 0.000000 -1.401358 20 1 0 -0.074520 0.000000 -2.499567 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.421154 0.000000 3 C 2.455580 1.402173 0.000000 4 C 2.871213 2.462727 1.422448 0.000000 5 C 2.462727 2.815233 2.434744 1.421154 0.000000 6 H 2.184769 1.097619 2.163539 3.449723 3.912784 7 H 3.447049 2.167106 1.098662 2.178660 3.431209 8 H 3.449723 3.912784 3.435444 2.184769 1.097619 9 C 4.368173 3.818548 2.518508 1.497607 2.565791 10 C 5.302039 4.994176 3.787143 2.539711 3.075841 11 H 5.265250 5.253275 4.239899 2.842069 2.836221 12 H 4.904971 4.057910 2.656998 2.194781 3.500001 13 H 6.352351 5.936916 4.647587 3.528300 4.170747 14 C 1.497607 2.565791 3.845809 4.368173 3.818548 15 H 2.194781 3.500001 4.650326 4.904971 4.057910 16 C 2.539711 3.075841 4.475340 5.302039 4.994176 17 H 2.842069 2.836221 4.199147 5.265250 5.253275 18 H 3.528300 4.170747 5.568714 6.352351 5.936916 19 C 1.422448 2.434744 2.804033 2.455580 1.402173 20 H 2.178660 3.431209 3.902693 3.447049 2.167106 6 7 8 9 10 6 H 0.000000 7 H 2.483795 0.000000 8 H 5.010364 4.346195 0.000000 9 C 4.681821 2.707671 2.798974 0.000000 10 C 5.932227 4.051938 2.792916 1.344268 0.000000 11 H 6.281536 4.734562 2.184595 2.144256 1.095990 12 H 4.722847 2.377036 3.873043 1.100407 2.109744 13 H 6.811123 4.713839 3.852247 2.129970 1.096228 14 C 2.798974 4.730446 4.681821 5.865463 6.770125 15 H 3.873043 5.622308 4.722847 6.383166 7.123389 16 C 2.792916 5.150572 5.932227 6.770125 7.802541 17 H 2.184595 4.665723 6.281536 6.654493 7.804928 18 H 3.852247 6.242262 6.811123 7.832266 8.827086 19 C 3.435444 3.902693 2.163539 3.845809 4.475340 20 H 4.346195 5.001355 2.483795 4.730446 5.150572 11 12 13 14 15 11 H 0.000000 12 H 3.106270 0.000000 13 H 1.860369 2.445768 0.000000 14 C 6.654493 6.383166 7.832266 0.000000 15 H 6.839828 7.036174 8.212882 1.100407 0.000000 16 C 7.804928 7.123389 8.827086 1.344268 2.109744 17 H 7.959684 6.839828 8.769073 2.144256 3.106270 18 H 8.769073 8.212882 9.867050 2.129970 2.445768 19 C 4.199147 4.650326 5.568714 2.518508 2.656998 20 H 4.665723 5.622308 6.242262 2.707671 2.377036 16 17 18 19 20 16 C 0.000000 17 H 1.095990 0.000000 18 H 1.096228 1.860369 0.000000 19 C 3.787143 4.239899 4.647587 0.000000 20 H 4.051938 4.734562 4.713839 1.098662 0.000000 Stoichiometry C10H10 Framework group C2H[SGH(C10H10)] Deg. of freedom 19 Full point group C2H NOp 4 Largest Abelian subgroup C2H NOp 4 Largest concise Abelian subgroup C2 NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.269481 -1.410087 0.000000 2 6 0 -1.064752 -0.920700 0.000000 3 6 0 -1.325434 0.457029 0.000000 4 6 0 -0.269481 1.410087 0.000000 5 6 0 1.064752 0.920700 0.000000 6 1 0 -1.904434 -1.627596 0.000000 7 1 0 -2.364772 0.813167 0.000000 8 1 0 1.904434 1.627596 0.000000 9 6 0 -0.603732 2.869917 0.000000 10 6 0 0.269481 3.891952 0.000000 11 1 0 1.355166 3.742014 0.000000 12 1 0 -1.681904 3.090005 0.000000 13 1 0 -0.074029 4.932969 0.000000 14 6 0 0.603732 -2.869917 0.000000 15 1 0 1.681904 -3.090005 0.000000 16 6 0 -0.269481 -3.891952 0.000000 17 1 0 -1.355166 -3.742014 0.000000 18 1 0 0.074029 -4.932969 0.000000 19 6 0 1.325434 -0.457029 0.000000 20 1 0 2.364772 -0.813167 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 4.6264911 0.6849396 0.5966127 Leave Link 202 at Tue Jun 08 16:54:28 2004, MaxMem= 13107200 cpu: 1.0 (Enter C:\Gaussian\l301.exe) Standard basis: STO-3G (5D, 7F) Coordinates in L301: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.269481 -1.410087 0.000000 2 6 0 -1.064752 -0.920700 0.000000 3 6 0 -1.325434 0.457029 0.000000 4 6 0 -0.269481 1.410087 0.000000 5 6 0 1.064752 0.920700 0.000000 6 1 0 -1.904434 -1.627596 0.000000 7 1 0 -2.364772 0.813167 0.000000 8 1 0 1.904434 1.627596 0.000000 9 6 0 -0.603732 2.869917 0.000000 10 6 0 0.269481 3.891952 0.000000 11 1 0 1.355166 3.742014 0.000000 12 1 0 -1.681904 3.090005 0.000000 13 1 0 -0.074029 4.932969 0.000000 14 6 0 0.603732 -2.869917 0.000000 15 1 0 1.681904 -3.090005 0.000000 16 6 0 -0.269481 -3.891952 0.000000 17 1 0 -1.355166 -3.742014 0.000000 18 1 0 0.074029 -4.932969 0.000000 19 6 0 1.325434 -0.457029 0.000000 20 1 0 2.364772 -0.813167 0.000000 --------------------------------------------------------------------- LdAtmC: AtmChg= 6.000000 6.000000 6.000000 6.000000 6.000000 LdAtmC: AtmChg= 1.000000 1.000000 1.000000 6.000000 6.000000 LdAtmC: AtmChg= 1.000000 1.000000 1.000000 6.000000 1.000000 LdAtmC: AtmChg= 6.000000 1.000000 1.000000 6.000000 1.000000 AtZEff= -3.6000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 AtZEff= -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 NEqShl: 1 2 3 4 1 1 7 1 7 2 2 8 2 8 3 3 9 3 9 4 4 10 4 10 5 5 28 5 28 6 6 29 6 29 7 7 1 7 1 8 8 2 8 2 9 9 3 9 3 10 10 4 10 4 11 11 13 11 13 12 12 30 12 30 13 13 11 13 11 14 14 21 14 21 15 15 22 15 22 16 16 24 16 24 17 17 25 17 25 18 18 26 18 26 19 19 23 19 23 20 20 27 20 27 21 21 14 21 14 22 22 15 22 15 23 23 19 23 19 24 24 16 24 16 25 25 17 25 17 26 26 18 26 18 27 27 20 27 20 28 28 5 28 5 29 29 6 29 6 30 30 12 30 12 NEqBas: 1 2 3 4 1 1 16 1 16 2 2 17 2 17 3 3 -18 3 -18 4 4 -19 4 -19 5 5 20 -5 -20 6 6 21 6 21 7 7 22 7 22 8 8 -23 8 -23 9 9 -24 9 -24 10 10 25 -10 -25 11 11 55 11 55 12 12 56 12 56 13 13 -57 13 -57 14 14 -58 14 -58 15 15 59 -15 -59 16 16 1 16 1 17 17 2 17 2 18 18 -3 18 -3 19 19 -4 19 -4 20 20 5 -20 -5 21 21 6 21 6 22 22 7 22 7 23 23 -8 23 -8 24 24 -9 24 -9 25 25 10 -25 -10 26 26 28 26 28 27 27 60 27 60 28 28 26 28 26 29 29 42 29 42 30 30 43 30 43 31 31 -44 31 -44 32 32 -45 32 -45 33 33 46 -33 -46 34 34 48 34 48 35 35 49 35 49 36 36 -50 36 -50 37 37 -51 37 -51 38 38 52 -38 -52 39 39 53 39 53 40 40 47 40 47 41 41 54 41 54 42 42 29 42 29 43 43 30 43 30 44 44 -31 44 -31 45 45 -32 45 -32 46 46 33 -46 -33 47 47 40 47 40 48 48 34 48 34 49 49 35 49 35 50 50 -36 50 -36 51 51 -37 51 -37 52 52 38 -52 -38 53 53 39 53 39 54 54 41 54 41 55 55 11 55 11 56 56 12 56 12 57 57 -13 57 -13 58 58 -14 58 -14 59 59 15 -59 -15 60 60 27 60 27 NEqShl: 1 2 3 4 1 1 7 1 7 2 2 8 2 8 3 3 9 3 9 4 4 10 4 10 5 5 28 5 28 6 6 29 6 29 7 7 1 7 1 8 8 2 8 2 9 9 3 9 3 10 10 4 10 4 11 11 13 11 13 12 12 30 12 30 13 13 11 13 11 14 14 21 14 21 15 15 22 15 22 16 16 24 16 24 17 17 25 17 25 18 18 26 18 26 19 19 23 19 23 20 20 27 20 27 21 21 14 21 14 22 22 15 22 15 23 23 19 23 19 24 24 16 24 16 25 25 17 25 17 26 26 18 26 18 27 27 20 27 20 28 28 5 28 5 29 29 6 29 6 30 30 12 30 12 NEqBas: 1 2 3 4 1 1 16 1 16 2 2 17 2 17 3 3 -18 3 -18 4 4 -19 4 -19 5 5 20 -5 -20 6 6 21 6 21 7 7 22 7 22 8 8 -23 8 -23 9 9 -24 9 -24 10 10 25 -10 -25 11 11 55 11 55 12 12 56 12 56 13 13 -57 13 -57 14 14 -58 14 -58 15 15 59 -15 -59 16 16 1 16 1 17 17 2 17 2 18 18 -3 18 -3 19 19 -4 19 -4 20 20 5 -20 -5 21 21 6 21 6 22 22 7 22 7 23 23 -8 23 -8 24 24 -9 24 -9 25 25 10 -25 -10 26 26 28 26 28 27 27 60 27 60 28 28 26 28 26 29 29 42 29 42 30 30 43 30 43 31 31 -44 31 -44 32 32 -45 32 -45 33 33 46 -33 -46 34 34 48 34 48 35 35 49 35 49 36 36 -50 36 -50 37 37 -51 37 -51 38 38 52 -38 -52 39 39 53 39 53 40 40 47 40 47 41 41 54 41 54 42 42 29 42 29 43 43 30 43 30 44 44 -31 44 -31 45 45 -32 45 -32 46 46 33 -46 -33 47 47 40 47 40 48 48 34 48 34 49 49 35 49 35 50 50 -36 50 -36 51 51 -37 51 -37 52 52 38 -52 -38 53 53 39 53 39 54 54 41 54 41 55 55 11 55 11 56 56 12 56 12 57 57 -13 57 -13 58 58 -14 58 -14 59 59 15 -59 -15 60 60 27 60 27 There are 25 symmetry adapted basis functions of AG symmetry. 1 1 16 16 1 2 2 17 17 2 3 3 -18 -18 3 4 4 -19 -19 4 5 6 21 21 6 6 7 22 22 7 7 8 -23 -23 8 8 9 -24 -24 9 9 11 55 55 11 10 12 56 56 12 11 13 -57 -57 13 12 14 -58 -58 14 13 26 28 28 26 14 27 60 60 27 15 29 42 42 29 16 30 43 43 30 17 31 -44 -44 31 18 32 -45 -45 32 19 34 48 48 34 20 35 49 49 35 21 36 -50 -50 36 22 37 -51 -51 37 23 39 53 53 39 24 40 47 47 40 25 41 54 54 41 There are 5 symmetry adapted basis functions of BG symmetry. 26 5 -20 -20 5 27 10 -25 -25 10 28 15 -59 -59 15 29 33 -46 -46 33 30 38 -52 -52 38 There are 5 symmetry adapted basis functions of AU symmetry. 31 5 20 20 5 32 10 25 25 10 33 15 59 59 15 34 33 46 46 33 35 38 52 52 38 There are 25 symmetry adapted basis functions of BU symmetry. 36 1 -16 -16 1 37 2 -17 -17 2 38 3 18 18 3 39 4 19 19 4 40 6 -21 -21 6 41 7 -22 -22 7 42 8 23 23 8 43 9 24 24 9 44 11 -55 -55 11 45 12 -56 -56 12 46 13 57 57 13 47 14 58 58 14 48 26 -28 -28 26 49 27 -60 -60 27 50 29 -42 -42 29 51 30 -43 -43 30 52 31 44 44 31 53 32 45 45 32 54 34 -48 -48 34 55 35 -49 -49 35 56 36 50 50 36 57 37 51 51 37 58 39 -53 -53 39 59 40 -47 -47 40 60 41 -54 -54 41 Order= 1 4 2 3 Reordered character table: 1 2 3 4 1 1 1 1 1 2 1 -1 1 -1 3 1 -1 -1 1 4 1 1 -1 -1 Integral buffers will be 262144 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 60 basis functions, 180 primitive gaussians, 60 cartesian basis functions 35 alpha electrons 35 beta electrons nuclear repulsion energy 445.8993288159 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 20 NActive= 20 NUniq= 10 SFac= 5.66D+00 NAtFMM= 60 Big=F Leave Link 301 at Tue Jun 08 16:54:30 2004, MaxMem= 13107200 cpu: 0.0 (Enter C:\Gaussian\l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Entering OneElI... Calculate overlap and kinetic energy integrals NBasis = 60 MinDer = 0 MaxDer = 0 Requested accuracy = 0.1000D-12 Symmetry will be used PRISM was handed 13010916 working-precision words and 438 shell-pairs *** Overlap *** 1 2 3 4 5 1 0.100000D+01 2 0.248362D+00 0.100000D+01 3 0.000000D+00 0.000000D+00 0.100000D+01 4 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 6 0.000000D+00 0.356474D-01 -0.555212D-01 0.203648D-01 0.000000D+00 7 0.356474D-01 0.354146D+00 -0.356945D+00 0.130925D+00 0.000000D+00 8 0.555212D-01 0.356945D+00 -0.263845D+00 0.171962D+00 0.000000D+00 9 -0.203648D-01 -0.130925D+00 0.171962D+00 0.141907D+00 0.000000D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204981D+00 11 0.000000D+00 0.159334D-02 -0.242051D-02 0.283361D-02 0.000000D+00 12 0.159334D-02 0.563300D-01 -0.543522D-01 0.636284D-01 0.000000D+00 13 0.242051D-02 0.543522D-01 -0.343642D-01 0.675905D-01 0.000000D+00 14 -0.283361D-02 -0.636284D-01 0.675905D-01 -0.557536D-01 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.233725D-01 16 0.000000D+00 0.298192D-03 -0.152806D-03 0.799573D-03 0.000000D+00 17 0.298192D-03 0.216835D-01 -0.665587D-02 0.348275D-01 0.000000D+00 18 0.152806D-03 0.665587D-02 0.604780D-02 0.114792D-01 0.000000D+00 19 -0.799573D-03 -0.348275D-01 0.114792D-01 -0.518246D-01 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.824158D-02 21 0.000000D+00 0.155148D-02 0.117515D-02 0.344415D-02 0.000000D+00 22 0.155148D-02 0.554696D-01 0.266571D-01 0.781269D-01 0.000000D+00 23 -0.117515D-02 -0.266571D-01 0.888093D-02 -0.413135D-01 0.000000D+00 24 -0.344415D-02 -0.781269D-01 -0.413135D-01 -0.981048D-01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.229772D-01 26 0.503522D-02 0.922542D-01 -0.119236D+00 -0.119301D-01 0.000000D+00 27 0.802831D-04 0.592140D-02 -0.754660D-02 0.636917D-02 0.000000D+00 28 0.794271D-04 0.588177D-02 0.465100D-02 0.864138D-02 0.000000D+00 29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 30 0.000000D+00 0.256747D-03 -0.113796D-03 0.557764D-03 0.000000D+00 31 0.000000D+00 0.113796D-03 0.314736D-04 0.250292D-03 0.000000D+00 32 0.000000D+00 -0.557764D-03 0.250292D-03 -0.114425D-02 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.825385D-04 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.701408D-05 0.000000D+00 0.186031D-04 0.000000D+00 36 0.000000D+00 0.000000D+00 0.220756D-05 0.000000D+00 0.000000D+00 37 0.000000D+00 -0.186031D-04 0.000000D+00 -0.472363D-04 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.220756D-05 39 0.000000D+00 0.231864D-04 0.109580D-04 0.520008D-04 0.000000D+00 40 0.000000D+00 0.819693D-04 -0.701735D-04 0.161827D-03 0.000000D+00 41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 42 0.000000D+00 0.295675D-01 0.110071D-01 -0.480731D-01 0.000000D+00 43 0.295675D-01 0.317716D+00 0.785799D-01 -0.343195D+00 0.000000D+00 44 -0.110071D-01 -0.785799D-01 0.153182D+00 0.108326D+00 0.000000D+00 45 0.480731D-01 0.343195D+00 0.108326D+00 -0.295123D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.177985D+00 47 0.490723D-02 0.905674D-01 0.758840D-01 -0.902554D-01 0.000000D+00 48 0.000000D+00 0.115899D-02 -0.594607D-03 -0.273811D-02 0.000000D+00 49 0.115899D-02 0.468872D-01 -0.150872D-01 -0.694748D-01 0.000000D+00 50 0.594607D-03 0.150872D-01 0.137702D-01 -0.244691D-01 0.000000D+00 51 0.273811D-02 0.694748D-01 -0.244691D-01 -0.935939D-01 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190839D-01 53 0.733595D-03 0.245234D-01 -0.209661D-01 -0.300936D-01 0.000000D+00 54 0.577498D-04 0.481999D-02 -0.451550D-03 -0.813884D-02 0.000000D+00 55 0.000000D+00 0.355361D-01 0.437662D-01 0.395015D-01 0.000000D+00 56 0.355361D-01 0.353510D+00 0.281890D+00 0.254422D+00 0.000000D+00 57 -0.437662D-01 -0.281890D+00 -0.883157D-01 -0.264281D+00 0.000000D+00 58 -0.395015D-01 -0.254422D+00 -0.264281D+00 -0.340314D-01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204497D+00 60 0.511469D-02 0.932965D-01 0.116381D+00 0.331554D-01 0.000000D+00 6 7 8 9 10 6 0.100000D+01 7 0.248362D+00 0.100000D+01 8 0.000000D+00 0.000000D+00 0.100000D+01 9 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 11 0.000000D+00 0.373151D-01 -0.115028D-01 0.607932D-01 0.000000D+00 12 0.373151D-01 0.363558D+00 -0.719676D-01 0.380356D+00 0.000000D+00 13 0.115028D-01 0.719676D-01 0.193522D+00 0.986482D-01 0.000000D+00 14 -0.607932D-01 -0.380356D+00 0.986482D-01 -0.309177D+00 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.212188D+00 16 0.000000D+00 0.155148D-02 0.117515D-02 0.344415D-02 0.000000D+00 17 0.155148D-02 0.554696D-01 0.266571D-01 0.781269D-01 0.000000D+00 18 -0.117515D-02 -0.266571D-01 0.888093D-02 -0.413135D-01 0.000000D+00 19 -0.344415D-02 -0.781269D-01 -0.413135D-01 -0.981048D-01 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.229772D-01 21 0.000000D+00 0.379395D-03 0.768272D-03 0.664332D-03 0.000000D+00 22 0.379395D-03 0.248323D-01 0.303413D-01 0.262364D-01 0.000000D+00 23 -0.768272D-03 -0.303413D-01 -0.303857D-01 -0.345246D-01 0.000000D+00 24 -0.664332D-03 -0.262364D-01 -0.345246D-01 -0.203131D-01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.954059D-02 26 0.611774D-01 0.486379D+00 -0.355456D+00 -0.299245D+00 0.000000D+00 27 0.526789D-02 0.952947D-01 -0.739469D-01 0.986247D-01 0.000000D+00 28 0.109519D-04 0.173132D-02 0.237371D-02 0.203723D-02 0.000000D+00 29 0.000000D+00 0.247945D-05 0.108466D-05 0.891836D-05 0.000000D+00 30 0.247945D-05 0.157362D-02 0.377339D-03 0.310257D-02 0.000000D+00 31 -0.108466D-05 -0.377339D-03 0.431168D-03 -0.765021D-03 0.000000D+00 32 -0.891836D-05 -0.310257D-02 -0.765021D-03 -0.576598D-02 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.524211D-03 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.247495D-04 0.165607D-04 0.597353D-04 0.000000D+00 36 0.000000D+00 -0.165607D-04 -0.330678D-05 -0.401293D-04 0.000000D+00 37 0.000000D+00 -0.597353D-04 -0.401293D-04 -0.136930D-03 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.781844D-05 39 0.000000D+00 0.242135D-04 0.255117D-04 0.491560D-04 0.000000D+00 40 0.559277D-05 0.115063D-02 -0.324242D-03 0.210716D-02 0.000000D+00 41 0.000000D+00 0.174863D-05 0.000000D+00 0.442394D-05 0.000000D+00 42 0.000000D+00 0.104784D-02 0.166396D-02 -0.194394D-02 0.000000D+00 43 0.104784D-02 0.442500D-01 0.439031D-01 -0.512901D-01 0.000000D+00 44 -0.166396D-02 -0.439031D-01 -0.296908D-01 0.556056D-01 0.000000D+00 45 0.194394D-02 0.512901D-01 0.556056D-01 -0.470554D-01 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.179063D-01 47 0.648275D-04 0.518029D-02 0.684169D-02 -0.540356D-02 0.000000D+00 48 0.000000D+00 0.118780D-03 0.897748D-04 -0.335412D-03 0.000000D+00 49 0.118780D-03 0.129682D-01 0.572733D-02 -0.213982D-01 0.000000D+00 50 -0.897748D-04 -0.572733D-02 0.206385D-02 0.100423D-01 0.000000D+00 51 0.335412D-03 0.213982D-01 0.100423D-01 -0.327678D-01 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.475173D-02 53 0.747903D-03 0.248392D-01 -0.379959D-02 -0.369122D-01 0.000000D+00 54 0.326131D-05 0.830279D-03 0.428411D-03 -0.150942D-02 0.000000D+00 55 0.000000D+00 0.172121D-02 0.391932D-02 0.760306D-03 0.000000D+00 56 0.172121D-02 0.589034D-01 0.854617D-01 0.165787D-01 0.000000D+00 57 -0.391932D-02 -0.854617D-01 -0.112157D+00 -0.265217D-01 0.000000D+00 58 -0.760306D-03 -0.165787D-01 -0.265217D-01 0.194151D-01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.245600D-01 60 0.855323D-04 0.616121D-02 0.102420D-01 0.321137D-03 0.000000D+00 11 12 13 14 15 11 0.100000D+01 12 0.248362D+00 0.100000D+01 13 0.000000D+00 0.000000D+00 0.100000D+01 14 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 16 0.000000D+00 0.355361D-01 0.437662D-01 0.395015D-01 0.000000D+00 17 0.355361D-01 0.353510D+00 0.281890D+00 0.254422D+00 0.000000D+00 18 -0.437662D-01 -0.281890D+00 -0.883157D-01 -0.264281D+00 0.000000D+00 19 -0.395015D-01 -0.254422D+00 -0.264281D+00 -0.340314D-01 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204497D+00 21 0.000000D+00 0.172121D-02 0.391932D-02 0.760306D-03 0.000000D+00 22 0.172121D-02 0.589034D-01 0.854617D-01 0.165787D-01 0.000000D+00 23 -0.391932D-02 -0.854617D-01 -0.112157D+00 -0.265217D-01 0.000000D+00 24 -0.760306D-03 -0.165787D-01 -0.265217D-01 0.194151D-01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.245600D-01 26 0.531595D-02 0.959187D-01 -0.331767D-01 -0.119449D+00 0.000000D+00 27 0.610287D-01 0.485781D+00 -0.439215D+00 0.150501D+00 0.000000D+00 28 0.840987D-04 0.609625D-02 0.953924D-02 0.345721D-02 0.000000D+00 29 0.000000D+00 0.125704D-02 0.863692D-03 0.288761D-02 0.000000D+00 30 0.125704D-02 0.491294D-01 0.212383D-01 0.710067D-01 0.000000D+00 31 -0.863692D-03 -0.212383D-01 0.100286D-01 -0.336456D-01 0.000000D+00 32 -0.288761D-02 -0.710067D-01 -0.336456D-01 -0.923963D-01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.200922D-01 34 0.000000D+00 0.296951D-05 0.449440D-05 0.967947D-05 0.000000D+00 35 0.296951D-05 0.173392D-02 0.144120D-02 0.310388D-02 0.000000D+00 36 -0.449440D-05 -0.144120D-02 -0.653971D-03 -0.265596D-02 0.000000D+00 37 -0.967947D-05 -0.310388D-02 -0.265596D-02 -0.514082D-02 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.579254D-03 39 0.232638D-05 0.677222D-03 0.819016D-03 0.100368D-02 0.000000D+00 40 0.132621D-02 0.364447D-01 -0.704847D-02 0.520617D-01 0.000000D+00 41 0.000000D+00 0.191859D-03 0.106210D-03 0.379885D-03 0.000000D+00 42 0.000000D+00 0.211760D-05 0.387622D-05 -0.668473D-05 0.000000D+00 43 0.211760D-05 0.144572D-02 0.144828D-02 -0.249764D-02 0.000000D+00 44 -0.387622D-05 -0.144828D-02 -0.101000D-02 0.257037D-02 0.000000D+00 45 0.668473D-05 0.249764D-02 0.257037D-02 -0.395228D-02 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.480457D-03 47 0.000000D+00 0.190173D-03 0.252971D-03 -0.298370D-03 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.175681D-03 0.938805D-04 -0.386650D-03 0.000000D+00 50 0.000000D+00 -0.938805D-04 0.554381D-05 0.208765D-03 0.000000D+00 51 0.000000D+00 0.386650D-03 0.208765D-03 -0.803573D-03 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.562329D-04 53 0.284072D-05 0.763893D-03 -0.102725D-04 -0.145076D-02 0.000000D+00 54 0.000000D+00 0.748756D-05 0.454261D-05 -0.174958D-04 0.000000D+00 55 0.000000D+00 0.397900D-03 0.100304D-02 -0.345863D-03 0.000000D+00 56 0.397900D-03 0.255085D-01 0.388570D-01 -0.133985D-01 0.000000D+00 57 -0.100304D-02 -0.388570D-01 -0.539636D-01 0.219942D-01 0.000000D+00 58 0.345863D-03 0.133985D-01 0.219942D-01 0.223802D-02 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.982192D-02 60 0.114654D-04 0.178039D-02 0.303628D-02 -0.104511D-02 0.000000D+00 16 17 18 19 20 16 0.100000D+01 17 0.248362D+00 0.100000D+01 18 0.000000D+00 0.000000D+00 0.100000D+01 19 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 21 0.000000D+00 0.356474D-01 0.555212D-01 -0.203648D-01 0.000000D+00 22 0.356474D-01 0.354146D+00 0.356945D+00 -0.130925D+00 0.000000D+00 23 -0.555212D-01 -0.356945D+00 -0.263845D+00 0.171962D+00 0.000000D+00 24 0.203648D-01 0.130925D+00 0.171962D+00 0.141907D+00 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.204981D+00 26 0.794271D-04 0.588177D-02 -0.465100D-02 -0.864138D-02 0.000000D+00 27 0.511469D-02 0.932965D-01 -0.116381D+00 -0.331554D-01 0.000000D+00 28 0.503522D-02 0.922542D-01 0.119236D+00 0.119301D-01 0.000000D+00 29 0.000000D+00 0.295675D-01 -0.110071D-01 0.480731D-01 0.000000D+00 30 0.295675D-01 0.317716D+00 -0.785799D-01 0.343195D+00 0.000000D+00 31 0.110071D-01 0.785799D-01 0.153182D+00 0.108326D+00 0.000000D+00 32 -0.480731D-01 -0.343195D+00 0.108326D+00 -0.295123D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.177985D+00 34 0.000000D+00 0.115899D-02 0.594607D-03 0.273811D-02 0.000000D+00 35 0.115899D-02 0.468872D-01 0.150872D-01 0.694748D-01 0.000000D+00 36 -0.594607D-03 -0.150872D-01 0.137702D-01 -0.244691D-01 0.000000D+00 37 -0.273811D-02 -0.694748D-01 -0.244691D-01 -0.935939D-01 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190839D-01 39 0.733595D-03 0.245234D-01 0.209661D-01 0.300936D-01 0.000000D+00 40 0.490723D-02 0.905674D-01 -0.758840D-01 0.902554D-01 0.000000D+00 41 0.577498D-04 0.481999D-02 0.451550D-03 0.813884D-02 0.000000D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.256747D-03 0.113796D-03 -0.557764D-03 0.000000D+00 44 0.000000D+00 -0.113796D-03 0.314736D-04 0.250292D-03 0.000000D+00 45 0.000000D+00 0.557764D-03 0.250292D-03 -0.114425D-02 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.825385D-04 47 0.000000D+00 0.819693D-04 0.701735D-04 -0.161827D-03 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.701408D-05 0.000000D+00 -0.186031D-04 0.000000D+00 50 0.000000D+00 0.000000D+00 0.220756D-05 0.000000D+00 0.000000D+00 51 0.000000D+00 0.186031D-04 0.000000D+00 -0.472363D-04 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.220756D-05 53 0.000000D+00 0.231864D-04 -0.109580D-04 -0.520008D-04 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.159334D-02 0.242051D-02 -0.283361D-02 0.000000D+00 56 0.159334D-02 0.563300D-01 0.543522D-01 -0.636284D-01 0.000000D+00 57 -0.242051D-02 -0.543522D-01 -0.343642D-01 0.675905D-01 0.000000D+00 58 0.283361D-02 0.636284D-01 0.675905D-01 -0.557536D-01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.233725D-01 60 0.802831D-04 0.592140D-02 0.754660D-02 -0.636917D-02 0.000000D+00 21 22 23 24 25 21 0.100000D+01 22 0.248362D+00 0.100000D+01 23 0.000000D+00 0.000000D+00 0.100000D+01 24 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 26 0.109519D-04 0.173132D-02 -0.237371D-02 -0.203723D-02 0.000000D+00 27 0.855323D-04 0.616121D-02 -0.102420D-01 -0.321137D-03 0.000000D+00 28 0.611774D-01 0.486379D+00 0.355456D+00 0.299245D+00 0.000000D+00 29 0.000000D+00 0.104784D-02 -0.166396D-02 0.194394D-02 0.000000D+00 30 0.104784D-02 0.442500D-01 -0.439031D-01 0.512901D-01 0.000000D+00 31 0.166396D-02 0.439031D-01 -0.296908D-01 0.556056D-01 0.000000D+00 32 -0.194394D-02 -0.512901D-01 0.556056D-01 -0.470554D-01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.179063D-01 34 0.000000D+00 0.118780D-03 -0.897748D-04 0.335412D-03 0.000000D+00 35 0.118780D-03 0.129682D-01 -0.572733D-02 0.213982D-01 0.000000D+00 36 0.897748D-04 0.572733D-02 0.206385D-02 0.100423D-01 0.000000D+00 37 -0.335412D-03 -0.213982D-01 0.100423D-01 -0.327678D-01 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.475173D-02 39 0.747903D-03 0.248392D-01 0.379959D-02 0.369122D-01 0.000000D+00 40 0.648275D-04 0.518029D-02 -0.684169D-02 0.540356D-02 0.000000D+00 41 0.326131D-05 0.830279D-03 -0.428411D-03 0.150942D-02 0.000000D+00 42 0.000000D+00 0.247945D-05 -0.108466D-05 -0.891836D-05 0.000000D+00 43 0.247945D-05 0.157362D-02 -0.377339D-03 -0.310257D-02 0.000000D+00 44 0.108466D-05 0.377339D-03 0.431168D-03 -0.765021D-03 0.000000D+00 45 0.891836D-05 0.310257D-02 -0.765021D-03 -0.576598D-02 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.524211D-03 47 0.559277D-05 0.115063D-02 0.324242D-03 -0.210716D-02 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.247495D-04 -0.165607D-04 -0.597353D-04 0.000000D+00 50 0.000000D+00 0.165607D-04 -0.330678D-05 -0.401293D-04 0.000000D+00 51 0.000000D+00 0.597353D-04 -0.401293D-04 -0.136930D-03 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.781844D-05 53 0.000000D+00 0.242135D-04 -0.255117D-04 -0.491560D-04 0.000000D+00 54 0.000000D+00 0.174863D-05 0.000000D+00 -0.442394D-05 0.000000D+00 55 0.000000D+00 0.373151D-01 0.115028D-01 -0.607932D-01 0.000000D+00 56 0.373151D-01 0.363558D+00 0.719676D-01 -0.380356D+00 0.000000D+00 57 -0.115028D-01 -0.719676D-01 0.193522D+00 0.986482D-01 0.000000D+00 58 0.607932D-01 0.380356D+00 0.986482D-01 -0.309177D+00 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.212188D+00 60 0.526789D-02 0.952947D-01 0.739469D-01 -0.986247D-01 0.000000D+00 26 27 28 29 30 26 0.100000D+01 27 0.510439D-01 0.100000D+01 28 0.104469D-03 0.710598D-03 0.100000D+01 29 0.000000D+00 0.113217D-02 0.845031D-03 0.100000D+01 30 0.171760D-03 0.327569D-01 0.269366D-01 0.248362D+00 0.100000D+01 31 -0.987044D-04 -0.310297D-01 0.357994D-01 0.000000D+00 0.000000D+00 32 -0.341296D-03 -0.362401D-01 -0.177318D-01 0.000000D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 0.575235D-05 0.861850D-03 0.223823D-05 0.428323D-01 35 0.178235D-05 0.117043D-02 0.272922D-01 0.428323D-01 0.393136D+00 36 -0.167467D-05 -0.140841D-02 0.236672D-01 -0.461398D-01 -0.264909D+00 37 -0.425198D-05 -0.164608D-02 -0.327783D-01 -0.540034D-01 -0.310057D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.134995D-05 0.238111D-03 0.873781D-01 0.558225D-02 0.993521D-01 40 0.246372D-03 0.621407D-01 0.243970D-02 0.607807D-01 0.484783D+00 41 0.000000D+00 0.252906D-03 0.256956D-02 0.578671D-02 0.101962D+00 42 0.845031D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.269366D-01 0.146589D-03 0.171760D-03 0.000000D+00 0.000000D+00 44 -0.357994D-01 -0.191926D-03 0.987044D-04 0.000000D+00 0.000000D+00 45 0.177318D-01 0.238126D-03 0.341296D-03 0.000000D+00 0.165043D-05 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.243970D-02 0.144631D-04 0.246372D-03 0.000000D+00 0.000000D+00 48 0.861850D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.272922D-01 0.349798D-04 0.178235D-05 0.000000D+00 0.000000D+00 50 -0.236672D-01 -0.319712D-04 0.167467D-05 0.000000D+00 0.000000D+00 51 0.327783D-01 0.717935D-04 0.425198D-05 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.873781D-01 0.290650D-03 0.134995D-05 0.000000D+00 0.000000D+00 54 0.256956D-02 0.156602D-05 0.000000D+00 0.000000D+00 0.000000D+00 55 0.840987D-04 0.114654D-04 0.531595D-02 0.000000D+00 0.211760D-05 56 0.609625D-02 0.178039D-02 0.959187D-01 0.211760D-05 0.144572D-02 57 -0.953924D-02 -0.303628D-02 0.331767D-01 -0.387622D-05 -0.144828D-02 58 -0.345721D-02 0.104511D-02 0.119449D+00 0.668473D-05 0.249764D-02 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.710598D-03 0.107388D-03 0.510439D-01 0.000000D+00 0.146589D-03 31 32 33 34 35 31 0.100000D+01 32 0.000000D+00 0.100000D+01 33 0.000000D+00 0.000000D+00 0.100000D+01 34 0.461398D-01 0.540034D-01 0.000000D+00 0.100000D+01 35 0.264909D+00 0.310057D+00 0.000000D+00 0.248362D+00 0.100000D+01 36 -0.240345D-02 -0.278418D+00 0.000000D+00 0.000000D+00 0.000000D+00 37 -0.278418D+00 -0.903959D-01 0.000000D+00 0.000000D+00 0.000000D+00 38 0.000000D+00 0.000000D+00 0.235473D+00 0.000000D+00 0.000000D+00 39 0.116775D+00 0.519880D-01 0.000000D+00 0.614106D-01 0.487313D+00 40 -0.454310D+00 0.927388D-01 0.000000D+00 0.608694D-02 0.105754D+00 41 0.325135D-01 0.126631D+00 0.000000D+00 0.613764D-01 0.487176D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 -0.165043D-05 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 45 0.000000D+00 -0.455111D-05 0.000000D+00 0.000000D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.387622D-05 -0.668473D-05 0.000000D+00 0.000000D+00 0.000000D+00 56 0.144828D-02 -0.249764D-02 0.000000D+00 0.000000D+00 0.175681D-03 57 -0.101000D-02 0.257037D-02 0.000000D+00 0.000000D+00 -0.938805D-04 58 0.257037D-02 -0.395228D-02 0.000000D+00 0.000000D+00 0.386650D-03 59 0.000000D+00 0.000000D+00 0.480457D-03 0.000000D+00 0.000000D+00 60 0.191926D-03 -0.238126D-03 0.000000D+00 0.000000D+00 0.349798D-04 36 37 38 39 40 36 0.100000D+01 37 0.000000D+00 0.100000D+01 38 0.000000D+00 0.000000D+00 0.100000D+01 39 0.460836D+00 -0.636438D-01 0.000000D+00 0.100000D+01 40 -0.124821D+00 -0.512967D-01 0.000000D+00 0.145542D-01 0.100000D+01 41 -0.145751D+00 0.441702D+00 0.000000D+00 0.149278D+00 0.547832D-01 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.000000D+00 0.000000D+00 0.284072D-05 0.000000D+00 56 0.938805D-04 -0.386650D-03 0.000000D+00 0.763893D-03 0.190173D-03 57 0.554381D-05 0.208765D-03 0.000000D+00 0.102725D-04 -0.252971D-03 58 0.208765D-03 -0.803573D-03 0.000000D+00 0.145076D-02 0.298370D-03 59 0.000000D+00 0.000000D+00 0.562329D-04 0.000000D+00 0.000000D+00 60 0.319712D-04 -0.717935D-04 0.000000D+00 0.290650D-03 0.144631D-04 41 42 43 44 45 41 0.100000D+01 42 0.000000D+00 0.100000D+01 43 0.000000D+00 0.248362D+00 0.100000D+01 44 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.607807D-01 0.484783D+00 0.454310D+00 -0.927388D-01 48 0.000000D+00 0.223823D-05 0.428323D-01 -0.461398D-01 -0.540034D-01 49 0.000000D+00 0.428323D-01 0.393136D+00 -0.264909D+00 -0.310057D+00 50 0.000000D+00 0.461398D-01 0.264909D+00 -0.240345D-02 -0.278418D+00 51 0.000000D+00 0.540034D-01 0.310057D+00 -0.278418D+00 -0.903959D-01 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.558225D-02 0.993521D-01 -0.116775D+00 -0.519880D-01 54 0.000000D+00 0.578671D-02 0.101962D+00 -0.325135D-01 -0.126631D+00 55 0.000000D+00 0.000000D+00 0.125704D-02 0.863692D-03 0.288761D-02 56 0.748756D-05 0.125704D-02 0.491294D-01 0.212383D-01 0.710067D-01 57 -0.454261D-05 -0.863692D-03 -0.212383D-01 0.100286D-01 -0.336456D-01 58 0.174958D-04 -0.288761D-02 -0.710067D-01 -0.336456D-01 -0.923963D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.156602D-05 0.113217D-02 0.327569D-01 0.310297D-01 0.362401D-01 46 47 48 49 50 46 0.100000D+01 47 0.000000D+00 0.100000D+01 48 0.000000D+00 0.608694D-02 0.100000D+01 49 0.000000D+00 0.105754D+00 0.248362D+00 0.100000D+01 50 0.000000D+00 0.124821D+00 0.000000D+00 0.000000D+00 0.100000D+01 51 0.000000D+00 0.512967D-01 0.000000D+00 0.000000D+00 0.000000D+00 52 0.235473D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.145542D-01 0.614106D-01 0.487313D+00 -0.460836D+00 54 0.000000D+00 0.547832D-01 0.613764D-01 0.487176D+00 0.145751D+00 55 0.000000D+00 0.132621D-02 0.000000D+00 0.296951D-05 0.449440D-05 56 0.000000D+00 0.364447D-01 0.296951D-05 0.173392D-02 0.144120D-02 57 0.000000D+00 0.704847D-02 -0.449440D-05 -0.144120D-02 -0.653971D-03 58 0.000000D+00 -0.520617D-01 -0.967947D-05 -0.310388D-02 -0.265596D-02 59 0.200922D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.000000D+00 0.621407D-01 0.575235D-05 0.117043D-02 0.140841D-02 51 52 53 54 55 51 0.100000D+01 52 0.000000D+00 0.100000D+01 53 0.636438D-01 0.000000D+00 0.100000D+01 54 -0.441702D+00 0.000000D+00 0.149278D+00 0.100000D+01 55 0.967947D-05 0.000000D+00 0.232638D-05 0.000000D+00 0.100000D+01 56 0.310388D-02 0.000000D+00 0.677222D-03 0.191859D-03 0.248362D+00 57 -0.265596D-02 0.000000D+00 -0.819016D-03 -0.106210D-03 0.000000D+00 58 -0.514082D-02 0.000000D+00 -0.100368D-02 -0.379885D-03 0.000000D+00 59 0.000000D+00 0.579254D-03 0.000000D+00 0.000000D+00 0.000000D+00 60 0.164608D-02 0.000000D+00 0.238111D-03 0.252906D-03 0.610287D-01 56 57 58 59 60 56 0.100000D+01 57 0.000000D+00 0.100000D+01 58 0.000000D+00 0.000000D+00 0.100000D+01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 60 0.485781D+00 0.439215D+00 -0.150501D+00 0.000000D+00 0.100000D+01 *** Kinetic Energy *** 1 2 3 4 5 1 0.158911D+02 2 -0.858900D-01 0.472250D+00 3 0.000000D+00 0.000000D+00 0.147773D+01 4 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 6 -0.232445D-04 -0.841008D-02 0.111646D-01 -0.409511D-02 0.000000D+00 7 -0.841008D-02 0.409130D-01 -0.131645D+00 0.482863D-01 0.000000D+00 8 -0.111646D-01 0.131645D+00 -0.250535D+00 0.116852D+00 0.000000D+00 9 0.409511D-02 -0.482863D-01 0.116852D+00 0.251822D-01 0.000000D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.680428D-01 11 0.000000D+00 -0.207833D-02 0.216264D-02 -0.253173D-02 0.000000D+00 12 -0.207833D-02 -0.171082D-01 0.723056D-02 -0.846458D-02 0.000000D+00 13 -0.216264D-02 -0.723056D-02 -0.561819D-02 0.193258D-02 0.000000D+00 14 0.253173D-02 0.846458D-02 0.193258D-02 -0.622976D-02 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.396735D-02 16 0.000000D+00 -0.598860D-03 0.242556D-03 -0.126920D-02 0.000000D+00 17 -0.598860D-03 -0.108352D-01 0.224714D-02 -0.117584D-01 0.000000D+00 18 -0.242556D-03 -0.224714D-02 -0.267814D-02 -0.209312D-02 0.000000D+00 19 0.126920D-02 0.117584D-01 -0.209312D-02 0.787434D-02 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.307815D-02 21 0.000000D+00 -0.204093D-02 -0.106247D-02 -0.311389D-02 0.000000D+00 22 -0.204093D-02 -0.170258D-01 -0.363694D-02 -0.106592D-01 0.000000D+00 23 0.106247D-02 0.363694D-02 -0.433264D-02 -0.103946D-02 0.000000D+00 24 0.311389D-02 0.106592D-01 -0.103946D-02 -0.702443D-02 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397798D-02 26 -0.225903D-02 -0.150264D-01 0.168001D-02 0.168092D-03 0.000000D+00 27 -0.141372D-03 -0.356656D-02 0.358051D-02 -0.302187D-02 0.000000D+00 28 -0.140141D-03 -0.354880D-02 -0.221149D-02 -0.410888D-02 0.000000D+00 29 0.000000D+00 0.000000D+00 0.000000D+00 -0.169535D-05 0.000000D+00 30 0.000000D+00 -0.356088D-03 0.135920D-03 -0.666202D-03 0.000000D+00 31 0.000000D+00 -0.135920D-03 -0.477841D-04 -0.254925D-03 0.000000D+00 32 0.169535D-05 0.666202D-03 -0.254925D-03 0.114971D-02 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.997942D-04 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 -0.151227D-04 0.000000D+00 -0.361206D-04 0.000000D+00 36 0.000000D+00 0.000000D+00 -0.429456D-05 0.000000D+00 0.000000D+00 37 0.000000D+00 0.361206D-04 0.000000D+00 0.813617D-04 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.429456D-05 39 0.000000D+00 -0.360087D-04 -0.151091D-04 -0.716998D-04 0.000000D+00 40 0.000000D+00 -0.108365D-03 0.811531D-04 -0.187147D-03 0.000000D+00 41 0.000000D+00 0.000000D+00 0.000000D+00 -0.181228D-05 0.000000D+00 42 -0.639583D-05 -0.818784D-02 -0.255612D-02 0.111638D-01 0.000000D+00 43 -0.818784D-02 0.274103D-01 0.255175D-01 -0.111447D+00 0.000000D+00 44 0.255612D-02 -0.255175D-01 0.358549D-01 0.650850D-01 0.000000D+00 45 -0.111638D-01 0.111447D+00 0.650850D-01 -0.233499D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.507571D-01 47 -0.223489D-02 -0.150434D-01 -0.132090D-02 0.157106D-02 0.000000D+00 48 0.000000D+00 -0.166585D-02 0.607745D-03 0.279861D-02 0.000000D+00 49 -0.166585D-02 -0.160359D-01 0.261575D-02 0.120453D-01 0.000000D+00 50 -0.607745D-03 -0.261575D-02 -0.394030D-02 0.299770D-03 0.000000D+00 51 -0.279861D-02 -0.120453D-01 0.299770D-03 -0.262499D-02 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.400540D-02 53 -0.765003D-03 -0.936445D-02 0.513179D-02 0.736588D-02 0.000000D+00 54 -0.107868D-03 -0.305714D-02 0.228507D-03 0.411866D-02 0.000000D+00 55 -0.227575D-04 -0.840812D-02 -0.883239D-02 -0.797174D-02 0.000000D+00 56 -0.840812D-02 0.406645D-01 0.103748D+00 0.936390D-01 0.000000D+00 57 0.883239D-02 -0.103748D+00 -0.130849D+00 -0.179215D+00 0.000000D+00 58 0.797174D-02 -0.936390D-01 -0.179215D+00 -0.940378D-01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.677143D-01 60 -0.227378D-02 -0.150128D-01 -0.140426D-02 -0.400055D-03 0.000000D+00 6 7 8 9 10 6 0.158911D+02 7 -0.858900D-01 0.472250D+00 8 0.000000D+00 0.000000D+00 0.147773D+01 9 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 11 -0.316269D-04 -0.842909D-02 0.218135D-02 -0.115287D-01 0.000000D+00 12 -0.842909D-02 0.446381D-01 -0.273521D-01 0.144558D+00 0.000000D+00 13 -0.218135D-02 0.273521D-01 0.599440D-01 0.690792D-01 0.000000D+00 14 0.115287D-01 -0.144558D+00 0.690792D-01 -0.292075D+00 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.730146D-01 16 0.000000D+00 -0.204093D-02 -0.106247D-02 -0.311389D-02 0.000000D+00 17 -0.204093D-02 -0.170258D-01 -0.363694D-02 -0.106592D-01 0.000000D+00 18 0.106247D-02 0.363694D-02 -0.433264D-02 -0.103946D-02 0.000000D+00 19 0.311389D-02 0.106592D-01 -0.103946D-02 -0.702443D-02 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397798D-02 21 0.000000D+00 -0.723441D-03 -0.114178D-02 -0.987304D-03 0.000000D+00 22 -0.723441D-03 -0.117290D-01 -0.938733D-02 -0.811730D-02 0.000000D+00 23 0.114178D-02 0.938733D-02 0.280384D-02 0.527401D-02 0.000000D+00 24 0.987304D-03 0.811730D-02 0.527401D-02 0.126514D-02 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.329534D-02 26 -0.107809D-01 0.104392D+00 -0.196227D+00 -0.165196D+00 0.000000D+00 27 -0.230172D-02 -0.149805D-01 0.609256D-03 -0.812579D-03 0.000000D+00 28 -0.263627D-04 -0.137915D-02 -0.157067D-02 -0.134802D-02 0.000000D+00 29 0.000000D+00 -0.997533D-05 -0.390862D-05 -0.321376D-04 0.000000D+00 30 -0.997533D-05 -0.160263D-02 -0.318912D-03 -0.262217D-02 0.000000D+00 31 0.390862D-05 0.318912D-03 -0.391685D-03 0.530012D-03 0.000000D+00 32 0.321376D-04 0.262217D-02 0.530012D-03 0.390174D-02 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.456146D-03 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 -0.465912D-04 -0.277090D-04 -0.999478D-04 0.000000D+00 36 0.000000D+00 0.277090D-04 0.324669D-05 0.590719D-04 0.000000D+00 37 0.000000D+00 0.999478D-04 0.590719D-04 0.199946D-03 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.131301D-04 39 0.000000D+00 -0.374099D-04 -0.349780D-04 -0.673959D-04 0.000000D+00 40 -0.146807D-04 -0.993408D-03 0.234875D-03 -0.152639D-02 0.000000D+00 41 0.000000D+00 -0.356246D-05 -0.138734D-05 -0.819708D-05 0.000000D+00 42 0.000000D+00 -0.155035D-02 -0.176938D-02 0.206709D-02 0.000000D+00 43 -0.155035D-02 -0.156657D-01 -0.816630D-02 0.954033D-02 0.000000D+00 44 0.176938D-02 0.816630D-02 -0.278809D-02 -0.139652D-02 0.000000D+00 45 -0.206709D-02 -0.954033D-02 -0.139652D-02 -0.235199D-02 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.398348D-02 47 -0.118655D-03 -0.322760D-02 -0.338671D-02 0.267482D-02 0.000000D+00 48 0.000000D+00 -0.284617D-03 -0.177303D-03 0.662432D-03 0.000000D+00 49 -0.284617D-03 -0.781166D-02 -0.253213D-02 0.946041D-02 0.000000D+00 50 0.177303D-03 0.253213D-02 -0.148233D-02 -0.293191D-02 0.000000D+00 51 -0.662432D-03 -0.946041D-02 -0.293191D-02 0.868698D-02 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.226707D-02 53 -0.775247D-03 -0.943476D-02 0.921746D-03 0.895456D-02 0.000000D+00 54 -0.913060D-05 -0.761844D-03 -0.332057D-03 0.116994D-02 0.000000D+00 55 0.000000D+00 -0.218982D-02 -0.338134D-02 -0.655945D-03 0.000000D+00 56 -0.218982D-02 -0.173377D-01 -0.105235D-01 -0.204144D-02 0.000000D+00 57 0.338134D-02 0.105235D-01 -0.919959D-02 -0.102274D-02 0.000000D+00 58 0.655945D-03 0.204144D-02 -0.102274D-02 -0.412583D-02 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.392743D-02 60 -0.148857D-03 -0.367313D-02 -0.479659D-02 -0.150397D-03 0.000000D+00 11 12 13 14 15 11 0.158911D+02 12 -0.858900D-01 0.472250D+00 13 0.000000D+00 0.000000D+00 0.147773D+01 14 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 16 -0.227575D-04 -0.840812D-02 -0.883239D-02 -0.797174D-02 0.000000D+00 17 -0.840812D-02 0.406645D-01 0.103748D+00 0.936390D-01 0.000000D+00 18 0.883239D-02 -0.103748D+00 -0.130849D+00 -0.179215D+00 0.000000D+00 19 0.797174D-02 -0.936390D-01 -0.179215D+00 -0.940378D-01 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.677143D-01 21 0.000000D+00 -0.218982D-02 -0.338134D-02 -0.655945D-03 0.000000D+00 22 -0.218982D-02 -0.173377D-01 -0.105235D-01 -0.204144D-02 0.000000D+00 23 0.338134D-02 0.105235D-01 -0.919959D-02 -0.102274D-02 0.000000D+00 24 0.655945D-03 0.204144D-02 -0.102274D-02 -0.412583D-02 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.392743D-02 26 -0.231036D-02 -0.149687D-01 0.234152D-03 0.843036D-03 0.000000D+00 27 -0.108141D-01 0.104056D+00 -0.242052D+00 0.829415D-01 0.000000D+00 28 -0.146823D-03 -0.364441D-02 -0.448308D-02 -0.162476D-02 0.000000D+00 29 0.000000D+00 -0.176406D-02 -0.854209D-03 -0.285590D-02 0.000000D+00 30 -0.176406D-02 -0.163252D-01 -0.346503D-02 -0.115847D-01 0.000000D+00 31 0.854209D-03 0.346503D-02 -0.399370D-02 0.627396D-04 0.000000D+00 32 0.285590D-02 0.115847D-01 0.627396D-04 -0.380271D-02 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.401247D-02 34 0.000000D+00 -0.117221D-04 -0.158552D-04 -0.341468D-04 0.000000D+00 35 -0.117221D-04 -0.173240D-02 -0.119171D-02 -0.256654D-02 0.000000D+00 36 0.158552D-04 0.119171D-02 0.339258D-03 0.179413D-02 0.000000D+00 37 0.341468D-04 0.256654D-02 0.179413D-02 0.337016D-02 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.493796D-03 39 -0.676765D-05 -0.644598D-03 -0.661029D-03 -0.810069D-03 0.000000D+00 40 -0.112977D-02 -0.116084D-01 0.124591D-02 -0.920257D-02 0.000000D+00 41 -0.101874D-05 -0.224468D-03 -0.107480D-03 -0.384426D-03 0.000000D+00 42 0.000000D+00 -0.865973D-05 -0.142249D-04 0.245316D-04 0.000000D+00 43 -0.865973D-05 -0.149681D-02 -0.124720D-02 0.215085D-02 0.000000D+00 44 0.142249D-04 0.124720D-02 0.629582D-03 -0.181956D-02 0.000000D+00 45 -0.245316D-04 -0.215085D-02 -0.181956D-02 0.271241D-02 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.425507D-03 47 -0.100512D-05 -0.222792D-03 -0.256369D-03 0.302377D-03 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 -0.257535D-03 -0.119222D-03 0.491021D-03 0.000000D+00 50 0.000000D+00 0.119222D-03 -0.169315D-04 -0.227360D-03 0.000000D+00 51 0.000000D+00 -0.491021D-03 -0.227360D-03 0.864256D-03 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.721356D-04 53 -0.808014D-05 -0.711603D-03 0.809629D-05 0.114342D-02 0.000000D+00 54 0.000000D+00 -0.132036D-04 -0.719433D-05 0.277088D-04 0.000000D+00 55 0.000000D+00 -0.750744D-03 -0.147064D-02 0.507097D-03 0.000000D+00 56 -0.750744D-03 -0.119096D-01 -0.118034D-01 0.406997D-02 0.000000D+00 57 0.147064D-02 0.118034D-01 0.603100D-02 -0.323039D-02 0.000000D+00 58 -0.507097D-03 -0.406997D-02 -0.323039D-02 -0.222360D-02 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.333749D-02 60 -0.274283D-04 -0.141018D-02 -0.199614D-02 0.687087D-03 0.000000D+00 16 17 18 19 20 16 0.158911D+02 17 -0.858900D-01 0.472250D+00 18 0.000000D+00 0.000000D+00 0.147773D+01 19 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 21 -0.232445D-04 -0.841008D-02 -0.111646D-01 0.409511D-02 0.000000D+00 22 -0.841008D-02 0.409130D-01 0.131645D+00 -0.482863D-01 0.000000D+00 23 0.111646D-01 -0.131645D+00 -0.250535D+00 0.116852D+00 0.000000D+00 24 -0.409511D-02 0.482863D-01 0.116852D+00 0.251822D-01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.680428D-01 26 -0.140141D-03 -0.354880D-02 0.221149D-02 0.410888D-02 0.000000D+00 27 -0.227378D-02 -0.150128D-01 0.140426D-02 0.400055D-03 0.000000D+00 28 -0.225903D-02 -0.150264D-01 -0.168001D-02 -0.168092D-03 0.000000D+00 29 -0.639583D-05 -0.818784D-02 0.255612D-02 -0.111638D-01 0.000000D+00 30 -0.818784D-02 0.274103D-01 -0.255175D-01 0.111447D+00 0.000000D+00 31 -0.255612D-02 0.255175D-01 0.358549D-01 0.650850D-01 0.000000D+00 32 0.111638D-01 -0.111447D+00 0.650850D-01 -0.233499D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.507571D-01 34 0.000000D+00 -0.166585D-02 -0.607745D-03 -0.279861D-02 0.000000D+00 35 -0.166585D-02 -0.160359D-01 -0.261575D-02 -0.120453D-01 0.000000D+00 36 0.607745D-03 0.261575D-02 -0.394030D-02 0.299770D-03 0.000000D+00 37 0.279861D-02 0.120453D-01 0.299770D-03 -0.262499D-02 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.400540D-02 39 -0.765003D-03 -0.936445D-02 -0.513179D-02 -0.736588D-02 0.000000D+00 40 -0.223489D-02 -0.150434D-01 0.132090D-02 -0.157106D-02 0.000000D+00 41 -0.107868D-03 -0.305714D-02 -0.228507D-03 -0.411866D-02 0.000000D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.169535D-05 0.000000D+00 43 0.000000D+00 -0.356088D-03 -0.135920D-03 0.666202D-03 0.000000D+00 44 0.000000D+00 0.135920D-03 -0.477841D-04 -0.254925D-03 0.000000D+00 45 -0.169535D-05 -0.666202D-03 -0.254925D-03 0.114971D-02 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.997942D-04 47 0.000000D+00 -0.108365D-03 -0.811531D-04 0.187147D-03 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 -0.151227D-04 0.000000D+00 0.361206D-04 0.000000D+00 50 0.000000D+00 0.000000D+00 -0.429456D-05 0.000000D+00 0.000000D+00 51 0.000000D+00 -0.361206D-04 0.000000D+00 0.813617D-04 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.429456D-05 53 0.000000D+00 -0.360087D-04 0.151091D-04 0.716998D-04 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.181228D-05 0.000000D+00 55 0.000000D+00 -0.207833D-02 -0.216264D-02 0.253173D-02 0.000000D+00 56 -0.207833D-02 -0.171082D-01 -0.723056D-02 0.846458D-02 0.000000D+00 57 0.216264D-02 0.723056D-02 -0.561819D-02 0.193258D-02 0.000000D+00 58 -0.253173D-02 -0.846458D-02 0.193258D-02 -0.622976D-02 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.396735D-02 60 -0.141372D-03 -0.356656D-02 -0.358051D-02 0.302187D-02 0.000000D+00 21 22 23 24 25 21 0.158911D+02 22 -0.858900D-01 0.472250D+00 23 0.000000D+00 0.000000D+00 0.147773D+01 24 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 26 -0.263627D-04 -0.137915D-02 0.157067D-02 0.134802D-02 0.000000D+00 27 -0.148857D-03 -0.367313D-02 0.479659D-02 0.150397D-03 0.000000D+00 28 -0.107809D-01 0.104392D+00 0.196227D+00 0.165196D+00 0.000000D+00 29 0.000000D+00 -0.155035D-02 0.176938D-02 -0.206709D-02 0.000000D+00 30 -0.155035D-02 -0.156657D-01 0.816630D-02 -0.954033D-02 0.000000D+00 31 -0.176938D-02 -0.816630D-02 -0.278809D-02 -0.139652D-02 0.000000D+00 32 0.206709D-02 0.954033D-02 -0.139652D-02 -0.235199D-02 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.398348D-02 34 0.000000D+00 -0.284617D-03 0.177303D-03 -0.662432D-03 0.000000D+00 35 -0.284617D-03 -0.781166D-02 0.253213D-02 -0.946041D-02 0.000000D+00 36 -0.177303D-03 -0.253213D-02 -0.148233D-02 -0.293191D-02 0.000000D+00 37 0.662432D-03 0.946041D-02 -0.293191D-02 0.868698D-02 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.226707D-02 39 -0.775247D-03 -0.943476D-02 -0.921746D-03 -0.895456D-02 0.000000D+00 40 -0.118655D-03 -0.322760D-02 0.338671D-02 -0.267482D-02 0.000000D+00 41 -0.913060D-05 -0.761844D-03 0.332057D-03 -0.116994D-02 0.000000D+00 42 0.000000D+00 -0.997533D-05 0.390862D-05 0.321376D-04 0.000000D+00 43 -0.997533D-05 -0.160263D-02 0.318912D-03 0.262217D-02 0.000000D+00 44 -0.390862D-05 -0.318912D-03 -0.391685D-03 0.530012D-03 0.000000D+00 45 -0.321376D-04 -0.262217D-02 0.530012D-03 0.390174D-02 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.456146D-03 47 -0.146807D-04 -0.993408D-03 -0.234875D-03 0.152639D-02 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 -0.465912D-04 0.277090D-04 0.999478D-04 0.000000D+00 50 0.000000D+00 -0.277090D-04 0.324669D-05 0.590719D-04 0.000000D+00 51 0.000000D+00 -0.999478D-04 0.590719D-04 0.199946D-03 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.131301D-04 53 0.000000D+00 -0.374099D-04 0.349780D-04 0.673959D-04 0.000000D+00 54 0.000000D+00 -0.356246D-05 0.138734D-05 0.819708D-05 0.000000D+00 55 -0.316269D-04 -0.842909D-02 -0.218135D-02 0.115287D-01 0.000000D+00 56 -0.842909D-02 0.446381D-01 0.273521D-01 -0.144558D+00 0.000000D+00 57 0.218135D-02 -0.273521D-01 0.599440D-01 0.690792D-01 0.000000D+00 58 -0.115287D-01 0.144558D+00 0.690792D-01 -0.292075D+00 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.730146D-01 60 -0.230172D-02 -0.149805D-01 -0.609256D-03 0.812579D-03 0.000000D+00 26 27 28 29 30 26 0.760032D+00 27 -0.107570D-01 0.760032D+00 28 -0.111237D-03 -0.562595D-03 0.760032D+00 29 0.000000D+00 -0.102200D-02 -0.842549D-03 0.158911D+02 30 -0.204318D-03 -0.109972D-01 -0.988521D-02 -0.858900D-01 0.472250D+00 31 0.101713D-03 0.605663D-02 -0.818984D-02 0.000000D+00 0.000000D+00 32 0.351700D-03 0.707364D-02 0.405652D-02 0.000000D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 -0.150471D-04 -0.853829D-03 -0.784892D-04 -0.834194D-02 35 -0.362471D-05 -0.100721D-02 -0.995882D-02 -0.834194D-02 0.569588D-01 36 0.309702D-05 0.101652D-02 -0.536130D-02 0.662694D-02 -0.109970D+00 37 0.786331D-05 0.118805D-02 0.742522D-02 0.775637D-02 -0.128713D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 -0.237719D-05 -0.224727D-03 -0.113852D-01 -0.235726D-02 -0.148896D-01 40 -0.231318D-03 -0.112525D-01 -0.153827D-02 -0.108685D-01 0.103497D+00 41 0.000000D+00 -0.236504D-03 -0.160309D-02 -0.239228D-02 -0.148136D-01 42 -0.842549D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 -0.988521D-02 -0.178503D-03 -0.204318D-03 0.000000D+00 -0.155816D-05 44 0.818984D-02 0.202897D-03 -0.101713D-03 0.000000D+00 0.000000D+00 45 -0.405652D-02 -0.251739D-03 -0.351700D-03 0.000000D+00 -0.410241D-05 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 -0.153827D-02 -0.198543D-04 -0.231318D-03 0.000000D+00 0.000000D+00 48 -0.853829D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 -0.995882D-02 -0.516733D-04 -0.362471D-05 0.000000D+00 0.000000D+00 50 0.536130D-02 0.417394D-04 -0.309702D-05 0.000000D+00 0.000000D+00 51 -0.742522D-02 -0.937288D-04 -0.786331D-05 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 -0.113852D-01 -0.266036D-03 -0.237719D-05 0.000000D+00 0.000000D+00 54 -0.160309D-02 -0.271909D-05 0.000000D+00 0.000000D+00 0.000000D+00 55 -0.146823D-03 -0.274283D-04 -0.231036D-02 0.000000D+00 -0.865973D-05 56 -0.364441D-02 -0.141018D-02 -0.149687D-01 -0.865973D-05 -0.149681D-02 57 0.448308D-02 0.199614D-02 -0.234152D-03 0.142249D-04 0.124720D-02 58 0.162476D-02 -0.687087D-03 -0.843036D-03 -0.245316D-04 -0.215085D-02 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 -0.562595D-03 -0.113902D-03 -0.107570D-01 0.000000D+00 -0.178503D-03 31 32 33 34 35 31 0.147773D+01 32 0.000000D+00 0.147773D+01 33 0.000000D+00 0.000000D+00 0.147773D+01 34 -0.662694D-02 -0.775637D-02 0.000000D+00 0.158911D+02 35 0.109970D+00 0.128713D+00 0.000000D+00 -0.858900D-01 0.472250D+00 36 -0.922245D-01 -0.213390D+00 0.000000D+00 0.000000D+00 0.000000D+00 37 -0.213390D+00 -0.159665D+00 0.000000D+00 0.000000D+00 0.000000D+00 38 0.000000D+00 0.000000D+00 0.900932D-01 0.000000D+00 0.000000D+00 39 -0.781182D-04 -0.347781D-04 0.000000D+00 -0.107283D-01 0.104917D+00 40 -0.249658D+00 0.509631D-01 0.000000D+00 -0.244243D-02 -0.146794D-01 41 0.132266D-03 0.515140D-03 0.000000D+00 -0.107361D-01 0.104840D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.410241D-05 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 -0.225765D-05 0.000000D+00 0.000000D+00 0.000000D+00 45 -0.225765D-05 0.102825D-04 0.000000D+00 0.000000D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.150564D-05 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 -0.142249D-04 0.245316D-04 0.000000D+00 0.000000D+00 0.000000D+00 56 -0.124720D-02 0.215085D-02 0.000000D+00 0.000000D+00 -0.257535D-03 57 0.629582D-03 -0.181956D-02 0.000000D+00 0.000000D+00 0.119222D-03 58 -0.181956D-02 0.271241D-02 0.000000D+00 0.000000D+00 -0.491021D-03 59 0.000000D+00 0.000000D+00 -0.425507D-03 0.000000D+00 0.000000D+00 60 -0.202897D-03 0.251739D-03 0.000000D+00 0.000000D+00 -0.516733D-04 36 37 38 39 40 36 0.147773D+01 37 0.000000D+00 0.147773D+01 38 0.000000D+00 0.000000D+00 0.147773D+01 39 0.255078D+00 -0.352275D-01 0.000000D+00 0.760032D+00 40 -0.134605D-02 -0.553174D-03 0.000000D+00 -0.575572D-02 0.760032D+00 41 -0.806433D-01 0.244392D+00 0.000000D+00 -0.773196D-02 -0.109601D-01 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.150564D-05 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.000000D+00 0.000000D+00 -0.808014D-05 -0.100512D-05 56 -0.119222D-03 0.491021D-03 0.000000D+00 -0.711603D-03 -0.222792D-03 57 -0.169315D-04 -0.227360D-03 0.000000D+00 -0.809629D-05 0.256369D-03 58 -0.227360D-03 0.864256D-03 0.000000D+00 -0.114342D-02 -0.302377D-03 59 0.000000D+00 0.000000D+00 -0.721356D-04 0.000000D+00 0.000000D+00 60 -0.417394D-04 0.937288D-04 0.000000D+00 -0.266036D-03 -0.198543D-04 41 42 43 44 45 41 0.760032D+00 42 0.000000D+00 0.158911D+02 43 0.000000D+00 -0.858900D-01 0.472250D+00 44 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 -0.108685D-01 0.103497D+00 0.249658D+00 -0.509631D-01 48 0.000000D+00 -0.784892D-04 -0.834194D-02 0.662694D-02 0.775637D-02 49 0.000000D+00 -0.834194D-02 0.569588D-01 -0.109970D+00 -0.128713D+00 50 0.000000D+00 -0.662694D-02 0.109970D+00 -0.922245D-01 -0.213390D+00 51 0.000000D+00 -0.775637D-02 0.128713D+00 -0.213390D+00 -0.159665D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 -0.235726D-02 -0.148896D-01 0.781182D-04 0.347781D-04 54 0.000000D+00 -0.239228D-02 -0.148136D-01 -0.132266D-03 -0.515140D-03 55 0.000000D+00 0.000000D+00 -0.176406D-02 -0.854209D-03 -0.285590D-02 56 -0.132036D-04 -0.176406D-02 -0.163252D-01 -0.346503D-02 -0.115847D-01 57 0.719433D-05 0.854209D-03 0.346503D-02 -0.399370D-02 0.627396D-04 58 -0.277088D-04 0.285590D-02 0.115847D-01 0.627396D-04 -0.380271D-02 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 -0.271909D-05 -0.102200D-02 -0.109972D-01 -0.605663D-02 -0.707364D-02 46 47 48 49 50 46 0.147773D+01 47 0.000000D+00 0.760032D+00 48 0.000000D+00 -0.244243D-02 0.158911D+02 49 0.000000D+00 -0.146794D-01 -0.858900D-01 0.472250D+00 50 0.000000D+00 0.134605D-02 0.000000D+00 0.000000D+00 0.147773D+01 51 0.000000D+00 0.553174D-03 0.000000D+00 0.000000D+00 0.000000D+00 52 0.900932D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 -0.575572D-02 -0.107283D-01 0.104917D+00 -0.255078D+00 54 0.000000D+00 -0.109601D-01 -0.107361D-01 0.104840D+00 0.806433D-01 55 0.000000D+00 -0.112977D-02 0.000000D+00 -0.117221D-04 -0.158552D-04 56 0.000000D+00 -0.116084D-01 -0.117221D-04 -0.173240D-02 -0.119171D-02 57 0.000000D+00 -0.124591D-02 0.158552D-04 0.119171D-02 0.339258D-03 58 0.000000D+00 0.920257D-02 0.341468D-04 0.256654D-02 0.179413D-02 59 -0.401247D-02 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.000000D+00 -0.112525D-01 -0.150471D-04 -0.100721D-02 -0.101652D-02 51 52 53 54 55 51 0.147773D+01 52 0.000000D+00 0.147773D+01 53 0.352275D-01 0.000000D+00 0.760032D+00 54 -0.244392D+00 0.000000D+00 -0.773196D-02 0.760032D+00 55 -0.341468D-04 0.000000D+00 -0.676765D-05 -0.101874D-05 0.158911D+02 56 -0.256654D-02 0.000000D+00 -0.644598D-03 -0.224468D-03 -0.858900D-01 57 0.179413D-02 0.000000D+00 0.661029D-03 0.107480D-03 0.000000D+00 58 0.337016D-02 0.000000D+00 0.810069D-03 0.384426D-03 0.000000D+00 59 0.000000D+00 -0.493796D-03 0.000000D+00 0.000000D+00 0.000000D+00 60 -0.118805D-02 0.000000D+00 -0.224727D-03 -0.236504D-03 -0.108141D-01 56 57 58 59 60 56 0.472250D+00 57 0.000000D+00 0.147773D+01 58 0.000000D+00 0.000000D+00 0.147773D+01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.147773D+01 60 0.104056D+00 0.242052D+00 -0.829415D-01 0.000000D+00 0.760032D+00 Entering OneElI... Calculate potential energy integrals NBasis = 60 MinDer = 0 MaxDer = 0 Requested accuracy = 0.1000D-12 Symmetry will be used PRISM was handed 13014961 working-precision words and 418 shell-pairs ***** Potential Energy ***** 1 2 3 4 5 1 0.481640D+02 2 0.779629D+01 0.196676D+02 3 -0.140200D-01 -0.162277D+00 0.198059D+02 4 0.471856D-01 0.541674D+00 -0.201550D-01 0.199906D+02 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190656D+02 6 0.121037D-04 0.110712D+01 -0.172441D+01 0.635086D+00 0.000000D+00 7 0.113144D+01 0.681854D+01 -0.684598D+01 0.270899D+01 0.000000D+00 8 0.176366D+01 0.709793D+01 -0.533918D+01 0.351268D+01 0.000000D+00 9 -0.645440D+00 -0.238217D+01 0.309413D+01 0.257498D+01 0.000000D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.361490D+01 11 0.000000D+00 0.480763D-01 -0.737248D-01 0.864170D-01 0.000000D+00 12 0.492758D-01 0.107621D+01 -0.104542D+01 0.121710D+01 0.000000D+00 13 0.756492D-01 0.104560D+01 -0.677855D+00 0.129733D+01 0.000000D+00 14 -0.885226D-01 -0.122831D+01 0.130933D+01 -0.108327D+01 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.400878D+00 16 0.000000D+00 0.906582D-02 -0.469286D-02 0.245612D-01 0.000000D+00 17 0.906582D-02 0.408892D+00 -0.126001D+00 0.659039D+00 0.000000D+00 18 0.469286D-02 0.126001D+00 0.117466D+00 0.218469D+00 0.000000D+00 19 -0.245612D-01 -0.659039D+00 0.218469D+00 -0.982558D+00 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.140909D+00 21 0.000000D+00 0.469378D-01 0.358494D-01 0.105288D+00 0.000000D+00 22 0.479473D-01 0.105816D+01 0.512786D+00 0.149562D+01 0.000000D+00 23 -0.367261D-01 -0.511730D+00 0.156875D+00 -0.793536D+00 0.000000D+00 24 -0.107534D+00 -0.150337D+01 -0.800086D+00 -0.189795D+01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.393505D+00 26 0.158720D+00 0.162462D+01 -0.205470D+01 -0.123208D+00 0.000000D+00 27 0.245396D-02 0.110068D+00 -0.138670D+00 0.119276D+00 0.000000D+00 28 0.242611D-02 0.109131D+00 0.843140D-01 0.160840D+00 0.000000D+00 29 0.000000D+00 0.215133D-05 -0.179533D-05 0.881093D-05 0.000000D+00 30 0.233225D-05 0.490459D-02 -0.217654D-02 0.107006D-01 0.000000D+00 31 0.194760D-05 0.217389D-02 0.580867D-03 0.481102D-02 0.000000D+00 32 -0.954726D-05 -0.106180D-01 0.477909D-02 -0.219088D-01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.137554D-02 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.132427D-03 -0.219563D-05 0.348641D-03 0.000000D+00 36 0.000000D+00 -0.222384D-05 0.407313D-04 -0.716611D-05 0.000000D+00 37 0.000000D+00 -0.353709D-03 0.456794D-05 -0.893923D-03 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358946D-04 39 0.000000D+00 0.429729D-03 0.194183D-03 0.958797D-03 0.000000D+00 40 0.197281D-05 0.153863D-02 -0.130800D-02 0.304155D-02 0.000000D+00 41 0.000000D+00 0.565582D-05 0.000000D+00 0.153446D-04 0.000000D+00 42 0.275498D-05 0.871284D+00 0.323715D+00 -0.141808D+01 0.000000D+00 43 0.933083D+00 0.574658D+01 0.136322D+01 -0.612848D+01 0.000000D+00 44 -0.347853D+00 -0.152593D+01 0.257206D+01 0.202384D+01 0.000000D+00 45 0.151877D+01 0.640715D+01 0.191743D+01 -0.543708D+01 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.294759D+01 47 0.154126D+00 0.151331D+01 0.118850D+01 -0.148115D+01 0.000000D+00 48 0.000000D+00 0.309959D-01 -0.160574D-01 -0.740495D-01 0.000000D+00 49 0.354103D-01 0.793816D+00 -0.231531D+00 -0.117078D+01 0.000000D+00 50 0.183587D-01 0.286408D+00 0.216234D+00 -0.458516D+00 0.000000D+00 51 0.846188D-01 0.119742D+01 -0.385600D+00 -0.160640D+01 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.289299D+00 53 0.226866D-01 0.393415D+00 -0.318172D+00 -0.471576D+00 0.000000D+00 54 0.174398D-02 0.794214D-01 -0.652835D-02 -0.132540D+00 0.000000D+00 55 0.117638D-04 0.109966D+01 0.135329D+01 0.122499D+01 0.000000D+00 56 0.112736D+01 0.677080D+01 0.528006D+01 0.504835D+01 0.000000D+00 57 -0.139025D+01 -0.568100D+01 -0.193968D+01 -0.531651D+01 0.000000D+00 58 -0.125271D+01 -0.481344D+01 -0.484556D+01 -0.814097D+00 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358762D+01 60 0.161141D+00 0.162216D+01 0.194096D+01 0.647072D+00 0.000000D+00 6 7 8 9 10 6 0.474100D+02 7 0.760903D+01 0.189070D+02 8 0.891185D-01 0.104080D+01 0.190332D+02 9 0.504368D-01 0.585976D+00 -0.136843D+00 0.191747D+02 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.183769D+02 11 0.166037D-04 0.115330D+01 -0.352422D+00 0.188065D+01 0.000000D+00 12 0.115691D+01 0.681260D+01 -0.104291D+01 0.728290D+01 0.000000D+00 13 0.360069D+00 0.169456D+01 0.341422D+01 0.220330D+01 0.000000D+00 14 -0.188531D+01 -0.717749D+01 0.150680D+01 -0.602559D+01 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.364531D+01 16 0.000000D+00 0.479473D-01 0.367261D-01 0.107534D+00 0.000000D+00 17 0.469378D-01 0.105816D+01 0.511730D+00 0.150337D+01 0.000000D+00 18 -0.358494D-01 -0.512786D+00 0.156875D+00 -0.800086D+00 0.000000D+00 19 -0.105288D+00 -0.149562D+01 -0.793536D+00 -0.189795D+01 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.393505D+00 21 0.000000D+00 0.113382D-01 0.231892D-01 0.200588D-01 0.000000D+00 22 0.113382D-01 0.467926D+00 0.573819D+00 0.495823D+00 0.000000D+00 23 -0.231892D-01 -0.573819D+00 -0.575757D+00 -0.656673D+00 0.000000D+00 24 -0.200588D-01 -0.495823D+00 -0.656673D+00 -0.381241D+00 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.162887D+00 26 0.188323D+01 0.801196D+01 -0.530559D+01 -0.461682D+01 0.000000D+00 27 0.161924D+00 0.160182D+01 -0.110854D+01 0.169940D+01 0.000000D+00 28 0.323425D-03 0.324190D-01 0.445528D-01 0.383046D-01 0.000000D+00 29 0.000000D+00 0.661693D-04 0.293777D-04 0.240470D-03 0.000000D+00 30 0.701270D-04 0.293692D-01 0.788360D-02 0.575878D-01 0.000000D+00 31 -0.308420D-04 -0.612566D-02 0.760753D-02 -0.120536D-01 0.000000D+00 32 -0.254731D-03 -0.584175D-01 -0.156929D-01 -0.108356D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.848533D-02 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.464779D-03 0.318163D-03 0.111135D-02 0.000000D+00 36 0.000000D+00 -0.303917D-03 -0.735719D-04 -0.729854D-03 0.000000D+00 37 0.000000D+00 -0.113230D-02 -0.777405D-03 -0.257705D-02 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.125826D-03 39 0.000000D+00 0.457459D-03 0.479642D-03 0.925323D-03 0.000000D+00 40 0.163105D-03 0.200811D-01 -0.445607D-02 0.364259D-01 0.000000D+00 41 0.000000D+00 0.314404D-04 0.146124D-04 0.786476D-04 0.000000D+00 42 0.000000D+00 0.299389D-01 0.480636D-01 -0.561429D-01 0.000000D+00 43 0.313955D-01 0.787111D+00 0.817202D+00 -0.882185D+00 0.000000D+00 44 -0.503401D-01 -0.756983D+00 -0.550204D+00 0.929441D+00 0.000000D+00 45 0.589360D-01 0.950251D+00 0.106510D+01 -0.844439D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.286223D+00 47 0.192909D-02 0.931316D-01 0.124797D+00 -0.938734D-01 0.000000D+00 48 0.000000D+00 0.308477D-02 0.236532D-02 -0.880953D-02 0.000000D+00 49 0.345373D-02 0.202393D+00 0.101638D+00 -0.328564D+00 0.000000D+00 50 -0.263074D-02 -0.779998D-01 0.322417D-01 0.135519D+00 0.000000D+00 51 0.986633D-02 0.342078D+00 0.180506D+00 -0.513952D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.681774D-01 53 0.225128D-01 0.366024D+00 -0.313393D-01 -0.527070D+00 0.000000D+00 54 0.938715D-04 0.127701D-01 0.741406D-02 -0.229125D-01 0.000000D+00 55 0.000000D+00 0.520490D-01 0.119696D+00 0.232641D-01 0.000000D+00 56 0.522247D-01 0.113227D+01 0.165432D+01 0.307336D+00 0.000000D+00 57 -0.120114D+00 -0.165087D+01 -0.219017D+01 -0.495590D+00 0.000000D+00 58 -0.232656D-01 -0.333412D+00 -0.534550D+00 0.369519D+00 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.423602D+00 60 0.256434D-02 0.116501D+00 0.193317D+00 0.615344D-02 0.000000D+00 11 12 13 14 15 11 0.473013D+02 12 0.758202D+01 0.187984D+02 13 0.105005D+00 0.122530D+01 0.188489D+02 14 -0.202337D-01 -0.233511D+00 0.701377D-01 0.191374D+02 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.182728D+02 16 0.117638D-04 0.112736D+01 0.139025D+01 0.125271D+01 0.000000D+00 17 0.109966D+01 0.677080D+01 0.568100D+01 0.481344D+01 0.000000D+00 18 -0.135329D+01 -0.528006D+01 -0.193968D+01 -0.484556D+01 0.000000D+00 19 -0.122499D+01 -0.504835D+01 -0.531651D+01 -0.814097D+00 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358762D+01 21 0.000000D+00 0.522247D-01 0.120114D+00 0.232656D-01 0.000000D+00 22 0.520490D-01 0.113227D+01 0.165087D+01 0.333412D+00 0.000000D+00 23 -0.119696D+00 -0.165432D+01 -0.219017D+01 -0.534550D+00 0.000000D+00 24 -0.232641D-01 -0.307336D+00 -0.495590D+00 0.369519D+00 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.423602D+00 26 0.162884D+00 0.161626D+01 -0.416474D+00 -0.200876D+01 0.000000D+00 27 0.187136D+01 0.790416D+01 -0.650391D+01 0.231864D+01 0.000000D+00 28 0.251226D-02 0.115512D+00 0.180736D+00 0.654479D-01 0.000000D+00 29 0.000000D+00 0.358504D-01 0.249777D-01 0.832589D-01 0.000000D+00 30 0.375685D-01 0.857070D+00 0.428924D+00 0.122051D+01 0.000000D+00 31 -0.259985D-01 -0.318681D+00 0.162083D+00 -0.504086D+00 0.000000D+00 32 -0.872869D-01 -0.127079D+01 -0.683542D+00 -0.163015D+01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.316006D+00 34 0.000000D+00 0.744199D-04 0.113822D-03 0.245138D-03 0.000000D+00 35 0.833412D-04 0.304938D-01 0.261423D-01 0.539836D-01 0.000000D+00 36 -0.127197D-03 -0.248177D-01 -0.126783D-01 -0.454686D-01 0.000000D+00 37 -0.274544D-03 -0.553775D-01 -0.489814D-01 -0.906476D-01 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.885006D-02 39 0.672502D-04 0.121439D-01 0.146912D-01 0.176091D-01 0.000000D+00 40 0.400778D-01 0.567875D+00 -0.603624D-01 0.793620D+00 0.000000D+00 41 0.801506D-05 0.319132D-02 0.193255D-02 0.624857D-02 0.000000D+00 42 0.000000D+00 0.566472D-04 0.104746D-03 -0.180644D-03 0.000000D+00 43 0.596587D-04 0.272524D-01 0.277978D-01 -0.466462D-01 0.000000D+00 44 -0.110169D-03 -0.268204D-01 -0.192624D-01 0.469696D-01 0.000000D+00 45 0.190217D-03 0.476965D-01 0.496726D-01 -0.753534D-01 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.785131D-02 47 0.798539D-05 0.359283D-02 0.480069D-02 -0.561723D-02 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 -0.403046D-05 0.000000D+00 49 0.109916D-05 0.296940D-02 0.171826D-02 -0.638539D-02 0.000000D+00 50 -0.110699D-05 -0.145677D-02 0.766992D-04 0.315151D-02 0.000000D+00 51 0.457182D-05 0.669706D-02 0.389176D-02 -0.136170D-01 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.842091D-03 53 0.818998D-04 0.124670D-01 0.744271D-03 -0.231717D-01 0.000000D+00 54 0.000000D+00 0.123682D-03 0.813179D-04 -0.282419D-03 0.000000D+00 55 0.000000D+00 0.118608D-01 0.302005D-01 -0.104179D-01 0.000000D+00 56 0.118608D-01 0.480592D+00 0.734559D+00 -0.253054D+00 0.000000D+00 57 -0.302005D-01 -0.734559D+00 -0.102352D+01 0.417599D+00 0.000000D+00 58 0.104179D-01 0.253054D+00 0.417599D+00 0.474071D-01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.167641D+00 60 0.337679D-03 0.333252D-01 0.569718D-01 -0.196581D-01 0.000000D+00 16 17 18 19 20 16 0.481640D+02 17 0.779629D+01 0.196676D+02 18 0.140200D-01 0.162277D+00 0.198059D+02 19 -0.471856D-01 -0.541674D+00 -0.201550D-01 0.199906D+02 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.190656D+02 21 0.121037D-04 0.110712D+01 0.172441D+01 -0.635086D+00 0.000000D+00 22 0.113144D+01 0.681854D+01 0.684598D+01 -0.270899D+01 0.000000D+00 23 -0.176366D+01 -0.709793D+01 -0.533918D+01 0.351268D+01 0.000000D+00 24 0.645440D+00 0.238217D+01 0.309413D+01 0.257498D+01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.361490D+01 26 0.242611D-02 0.109131D+00 -0.843140D-01 -0.160840D+00 0.000000D+00 27 0.161141D+00 0.162216D+01 -0.194096D+01 -0.647072D+00 0.000000D+00 28 0.158720D+00 0.162462D+01 0.205470D+01 0.123208D+00 0.000000D+00 29 0.275498D-05 0.871284D+00 -0.323715D+00 0.141808D+01 0.000000D+00 30 0.933083D+00 0.574658D+01 -0.136322D+01 0.612848D+01 0.000000D+00 31 0.347853D+00 0.152593D+01 0.257206D+01 0.202384D+01 0.000000D+00 32 -0.151877D+01 -0.640715D+01 0.191743D+01 -0.543708D+01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.294759D+01 34 0.000000D+00 0.309959D-01 0.160574D-01 0.740495D-01 0.000000D+00 35 0.354103D-01 0.793816D+00 0.231531D+00 0.117078D+01 0.000000D+00 36 -0.183587D-01 -0.286408D+00 0.216234D+00 -0.458516D+00 0.000000D+00 37 -0.846188D-01 -0.119742D+01 -0.385600D+00 -0.160640D+01 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.289299D+00 39 0.226866D-01 0.393415D+00 0.318172D+00 0.471576D+00 0.000000D+00 40 0.154126D+00 0.151331D+01 -0.118850D+01 0.148115D+01 0.000000D+00 41 0.174398D-02 0.794214D-01 0.652835D-02 0.132540D+00 0.000000D+00 42 0.000000D+00 0.215133D-05 0.179533D-05 -0.881093D-05 0.000000D+00 43 0.233225D-05 0.490459D-02 0.217654D-02 -0.107006D-01 0.000000D+00 44 -0.194760D-05 -0.217389D-02 0.580867D-03 0.481102D-02 0.000000D+00 45 0.954726D-05 0.106180D-01 0.477909D-02 -0.219088D-01 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.137554D-02 47 0.197281D-05 0.153863D-02 0.130800D-02 -0.304155D-02 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.132427D-03 0.219563D-05 -0.348641D-03 0.000000D+00 50 0.000000D+00 0.222384D-05 0.407313D-04 -0.716611D-05 0.000000D+00 51 0.000000D+00 0.353709D-03 0.456794D-05 -0.893923D-03 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.358946D-04 53 0.000000D+00 0.429729D-03 -0.194183D-03 -0.958797D-03 0.000000D+00 54 0.000000D+00 0.565582D-05 0.000000D+00 -0.153446D-04 0.000000D+00 55 0.000000D+00 0.480763D-01 0.737248D-01 -0.864170D-01 0.000000D+00 56 0.492758D-01 0.107621D+01 0.104542D+01 -0.121710D+01 0.000000D+00 57 -0.756492D-01 -0.104560D+01 -0.677855D+00 0.129733D+01 0.000000D+00 58 0.885226D-01 0.122831D+01 0.130933D+01 -0.108327D+01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.400878D+00 60 0.245396D-02 0.110068D+00 0.138670D+00 -0.119276D+00 0.000000D+00 21 22 23 24 25 21 0.474100D+02 22 0.760903D+01 0.189070D+02 23 -0.891185D-01 -0.104080D+01 0.190332D+02 24 -0.504368D-01 -0.585976D+00 -0.136843D+00 0.191747D+02 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.183769D+02 26 0.323425D-03 0.324190D-01 -0.445528D-01 -0.383046D-01 0.000000D+00 27 0.256434D-02 0.116501D+00 -0.193317D+00 -0.615344D-02 0.000000D+00 28 0.188323D+01 0.801196D+01 0.530559D+01 0.461682D+01 0.000000D+00 29 0.000000D+00 0.299389D-01 -0.480636D-01 0.561429D-01 0.000000D+00 30 0.313955D-01 0.787111D+00 -0.817202D+00 0.882185D+00 0.000000D+00 31 0.503401D-01 0.756983D+00 -0.550204D+00 0.929441D+00 0.000000D+00 32 -0.589360D-01 -0.950251D+00 0.106510D+01 -0.844439D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.286223D+00 34 0.000000D+00 0.308477D-02 -0.236532D-02 0.880953D-02 0.000000D+00 35 0.345373D-02 0.202393D+00 -0.101638D+00 0.328564D+00 0.000000D+00 36 0.263074D-02 0.779998D-01 0.322417D-01 0.135519D+00 0.000000D+00 37 -0.986633D-02 -0.342078D+00 0.180506D+00 -0.513952D+00 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.681774D-01 39 0.225128D-01 0.366024D+00 0.313393D-01 0.527070D+00 0.000000D+00 40 0.192909D-02 0.931316D-01 -0.124797D+00 0.938734D-01 0.000000D+00 41 0.938715D-04 0.127701D-01 -0.741406D-02 0.229125D-01 0.000000D+00 42 0.000000D+00 0.661693D-04 -0.293777D-04 -0.240470D-03 0.000000D+00 43 0.701270D-04 0.293692D-01 -0.788360D-02 -0.575878D-01 0.000000D+00 44 0.308420D-04 0.612566D-02 0.760753D-02 -0.120536D-01 0.000000D+00 45 0.254731D-03 0.584175D-01 -0.156929D-01 -0.108356D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.848533D-02 47 0.163105D-03 0.200811D-01 0.445607D-02 -0.364259D-01 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.464779D-03 -0.318163D-03 -0.111135D-02 0.000000D+00 50 0.000000D+00 0.303917D-03 -0.735719D-04 -0.729854D-03 0.000000D+00 51 0.000000D+00 0.113230D-02 -0.777405D-03 -0.257705D-02 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.125826D-03 53 0.000000D+00 0.457459D-03 -0.479642D-03 -0.925323D-03 0.000000D+00 54 0.000000D+00 0.314404D-04 -0.146124D-04 -0.786476D-04 0.000000D+00 55 0.166037D-04 0.115330D+01 0.352422D+00 -0.188065D+01 0.000000D+00 56 0.115691D+01 0.681260D+01 0.104291D+01 -0.728290D+01 0.000000D+00 57 -0.360069D+00 -0.169456D+01 0.341422D+01 0.220330D+01 0.000000D+00 58 0.188531D+01 0.717749D+01 0.150680D+01 -0.602559D+01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.364531D+01 60 0.161924D+00 0.160182D+01 0.110854D+01 -0.169940D+01 0.000000D+00 26 27 28 29 30 26 0.143504D+02 27 0.734323D+00 0.140618D+02 28 0.193609D-02 0.131060D-01 0.143504D+02 29 0.634065D-05 0.326315D-01 0.244300D-01 0.458426D+02 30 0.304319D-02 0.504366D+00 0.433439D+00 0.721974D+01 0.173388D+02 31 -0.158319D-02 -0.437052D+00 0.556392D+00 0.568955D-01 0.659509D+00 32 -0.613532D-02 -0.578746D+00 -0.304957D+00 -0.580356D-01 -0.695070D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 0.149048D-03 0.231961D-01 0.405638D-04 0.118366D+01 35 0.321825D-04 0.190020D-01 0.384130D+00 0.125868D+01 0.643776D+01 36 -0.290243D-04 -0.219159D-01 0.306484D+00 -0.135481D+01 -0.439244D+01 37 -0.776854D-04 -0.273684D-01 -0.475345D+00 -0.159056D+01 -0.545548D+01 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.250585D-04 0.401132D-02 0.110585D+01 0.163343D+00 0.154774D+01 40 0.384559D-02 0.818513D+00 0.403480D-01 0.177910D+01 0.739771D+01 41 0.280246D-05 0.365221D-02 0.352246D-01 0.168601D+00 0.148391D+01 42 0.244300D-01 0.487829D-05 0.634065D-05 0.000000D+00 0.000000D+00 43 0.433439D+00 0.264320D-02 0.304319D-02 0.000000D+00 0.107872D-04 44 -0.556392D+00 -0.337257D-02 0.158319D-02 0.000000D+00 -0.650290D-05 45 0.304957D+00 0.439786D-02 0.613532D-02 0.000000D+00 0.309120D-04 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.403480D-01 0.265105D-03 0.384559D-02 0.000000D+00 0.496376D-05 48 0.231961D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.384130D+00 0.538556D-03 0.321825D-04 0.000000D+00 0.000000D+00 50 -0.306484D+00 -0.458050D-03 0.290243D-04 0.000000D+00 0.000000D+00 51 0.475345D+00 0.113908D-02 0.776854D-04 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.110585D+01 0.407671D-02 0.250585D-04 0.000000D+00 0.146107D-05 54 0.352246D-01 0.232686D-04 0.280246D-05 0.000000D+00 0.000000D+00 55 0.251226D-02 0.337679D-03 0.162884D+00 0.000000D+00 0.596587D-04 56 0.115512D+00 0.333252D-01 0.161626D+01 0.566472D-04 0.272524D-01 57 -0.180736D+00 -0.569718D-01 0.416474D+00 -0.104746D-03 -0.277978D-01 58 -0.654479D-01 0.196581D-01 0.200876D+01 0.180644D-03 0.466462D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.131060D-01 0.198992D-02 0.734323D+00 0.487829D-05 0.264320D-02 31 32 33 34 35 31 0.172873D+02 32 0.121219D+00 0.177330D+02 33 0.000000D+00 0.000000D+00 0.168604D+02 34 0.127766D+01 0.149294D+01 0.000000D+00 0.438859D+02 35 0.448173D+01 0.488597D+01 0.000000D+00 0.673375D+01 0.153765D+02 36 -0.376063D+00 -0.437097D+01 0.000000D+00 -0.395120D-01 -0.453391D+00 37 -0.482186D+01 -0.172244D+01 0.000000D+00 -0.101801D+00 -0.117960D+01 38 0.000000D+00 0.000000D+00 0.351777D+01 0.000000D+00 0.000000D+00 39 0.177810D+01 0.784276D+00 0.000000D+00 0.168238D+01 0.680394D+01 40 -0.646647D+01 0.108443D+01 0.000000D+00 0.166878D+00 0.158256D+01 41 0.549737D+00 0.174919D+01 0.000000D+00 0.167501D+01 0.644074D+01 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.650290D-05 -0.309120D-04 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 0.186428D-04 0.000000D+00 0.000000D+00 0.000000D+00 45 0.186428D-04 -0.851486D-04 0.000000D+00 0.000000D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.300792D-05 0.000000D+00 0.000000D+00 47 0.489515D-05 -0.127408D-04 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 -0.129172D-05 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 -0.416095D-05 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.110169D-03 -0.190217D-03 0.000000D+00 0.000000D+00 0.109916D-05 56 0.268204D-01 -0.476965D-01 0.000000D+00 0.000000D+00 0.296940D-02 57 -0.192624D-01 0.496726D-01 0.000000D+00 0.000000D+00 -0.171826D-02 58 0.469696D-01 -0.753534D-01 0.000000D+00 0.403046D-05 0.638539D-02 59 0.000000D+00 0.000000D+00 0.785131D-02 0.000000D+00 0.000000D+00 60 0.337257D-02 -0.439786D-02 0.000000D+00 0.000000D+00 0.538556D-03 36 37 38 39 40 36 0.153873D+02 37 0.205189D+00 0.156041D+02 38 0.000000D+00 0.000000D+00 0.150071D+02 39 0.605482D+01 -0.127436D+01 0.000000D+00 0.125864D+02 40 -0.181174D+01 -0.902450D+00 0.000000D+00 0.222132D+00 0.133303D+02 41 -0.197347D+01 0.526035D+01 0.000000D+00 0.187714D+01 0.690548D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.000000D+00 0.000000D+00 0.146107D-05 0.496376D-05 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.489515D-05 45 0.000000D+00 -0.129172D-05 0.000000D+00 0.416095D-05 0.127408D-04 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 0.247813D-05 0.120504D-05 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.247813D-05 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.110699D-05 -0.457182D-05 0.000000D+00 0.818998D-04 0.798539D-05 56 0.145677D-02 -0.669706D-02 0.000000D+00 0.124670D-01 0.359283D-02 57 0.766992D-04 0.389176D-02 0.000000D+00 -0.744271D-03 -0.480069D-02 58 0.315151D-02 -0.136170D-01 0.000000D+00 0.231717D-01 0.561723D-02 59 0.000000D+00 0.000000D+00 0.842091D-03 0.000000D+00 0.000000D+00 60 0.458050D-03 -0.113908D-02 0.000000D+00 0.407671D-02 0.265105D-03 41 42 43 44 45 41 0.113577D+02 42 0.000000D+00 0.458426D+02 43 0.000000D+00 0.721974D+01 0.173388D+02 44 0.000000D+00 -0.568955D-01 -0.659509D+00 0.172873D+02 45 0.000000D+00 0.580356D-01 0.695070D+00 0.121219D+00 0.177330D+02 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.177910D+01 0.739771D+01 0.646647D+01 -0.108443D+01 48 0.000000D+00 0.405638D-04 0.118366D+01 -0.127766D+01 -0.149294D+01 49 0.000000D+00 0.125868D+01 0.643776D+01 -0.448173D+01 -0.488597D+01 50 0.000000D+00 0.135481D+01 0.439244D+01 -0.376063D+00 -0.437097D+01 51 0.000000D+00 0.159056D+01 0.545548D+01 -0.482186D+01 -0.172244D+01 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.163343D+00 0.154774D+01 -0.177810D+01 -0.784276D+00 54 0.000000D+00 0.168601D+00 0.148391D+01 -0.549737D+00 -0.174919D+01 55 0.000000D+00 0.000000D+00 0.375685D-01 0.259985D-01 0.872869D-01 56 0.123682D-03 0.358504D-01 0.857070D+00 0.318681D+00 0.127079D+01 57 -0.813179D-04 -0.249777D-01 -0.428924D+00 0.162083D+00 -0.683542D+00 58 0.282419D-03 -0.832589D-01 -0.122051D+01 -0.504086D+00 -0.163015D+01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.232686D-04 0.326315D-01 0.504366D+00 0.437052D+00 0.578746D+00 46 47 48 49 50 46 0.168604D+02 47 0.000000D+00 0.133303D+02 48 0.000000D+00 0.166878D+00 0.438859D+02 49 0.000000D+00 0.158256D+01 0.673375D+01 0.153765D+02 50 0.000000D+00 0.181174D+01 0.395120D-01 0.453391D+00 0.153873D+02 51 0.000000D+00 0.902450D+00 0.101801D+00 0.117960D+01 0.205189D+00 52 0.351777D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.222132D+00 0.168238D+01 0.680394D+01 -0.605482D+01 54 0.000000D+00 0.690548D+00 0.167501D+01 0.644074D+01 0.197347D+01 55 0.000000D+00 0.400778D-01 0.000000D+00 0.833412D-04 0.127197D-03 56 0.000000D+00 0.567875D+00 0.744199D-04 0.304938D-01 0.248177D-01 57 0.000000D+00 0.603624D-01 -0.113822D-03 -0.261423D-01 -0.126783D-01 58 0.000000D+00 -0.793620D+00 -0.245138D-03 -0.539836D-01 -0.454686D-01 59 0.316006D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.000000D+00 0.818513D+00 0.149048D-03 0.190020D-01 0.219159D-01 51 52 53 54 55 51 0.156041D+02 52 0.000000D+00 0.150071D+02 53 0.127436D+01 0.000000D+00 0.125864D+02 54 -0.526035D+01 0.000000D+00 0.187714D+01 0.113577D+02 55 0.274544D-03 0.000000D+00 0.672502D-04 0.801506D-05 0.473013D+02 56 0.553775D-01 0.000000D+00 0.121439D-01 0.319132D-02 0.758202D+01 57 -0.489814D-01 0.000000D+00 -0.146912D-01 -0.193255D-02 -0.105005D+00 58 -0.906476D-01 0.000000D+00 -0.176091D-01 -0.624857D-02 0.202337D-01 59 0.000000D+00 0.885006D-02 0.000000D+00 0.000000D+00 0.000000D+00 60 0.273684D-01 0.000000D+00 0.401132D-02 0.365221D-02 0.187136D+01 56 57 58 59 60 56 0.187984D+02 57 -0.122530D+01 0.188489D+02 58 0.233511D+00 0.701377D-01 0.191374D+02 59 0.000000D+00 0.000000D+00 0.000000D+00 0.182728D+02 60 0.790416D+01 0.650391D+01 -0.231864D+01 0.000000D+00 0.140618D+02 ****** Core Hamiltonian ****** 1 2 3 4 5 1 -0.322729D+02 2 -0.788218D+01 -0.191954D+02 3 0.140200D-01 0.162277D+00 -0.183282D+02 4 -0.471856D-01 -0.541674D+00 0.201550D-01 -0.185129D+02 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.175879D+02 6 -0.353481D-04 -0.111553D+01 0.173558D+01 -0.639181D+00 0.000000D+00 7 -0.113985D+01 -0.677763D+01 0.671433D+01 -0.266070D+01 0.000000D+00 8 -0.177482D+01 -0.696629D+01 0.508864D+01 -0.339582D+01 0.000000D+00 9 0.649535D+00 0.233388D+01 -0.297728D+01 -0.254979D+01 0.000000D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.354685D+01 11 0.000000D+00 -0.501546D-01 0.758874D-01 -0.889487D-01 0.000000D+00 12 -0.513541D-01 -0.109332D+01 0.105265D+01 -0.122557D+01 0.000000D+00 13 -0.778118D-01 -0.105283D+01 0.672237D+00 -0.129540D+01 0.000000D+00 14 0.910544D-01 0.123678D+01 -0.130739D+01 0.107704D+01 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.404846D+00 16 0.000000D+00 -0.966468D-02 0.493541D-02 -0.258304D-01 0.000000D+00 17 -0.966468D-02 -0.419727D+00 0.128248D+00 -0.670797D+00 0.000000D+00 18 -0.493541D-02 -0.128248D+00 -0.120144D+00 -0.220562D+00 0.000000D+00 19 0.258304D-01 0.670797D+00 -0.220562D+00 0.990432D+00 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.143987D+00 21 0.000000D+00 -0.489788D-01 -0.369119D-01 -0.108402D+00 0.000000D+00 22 -0.499882D-01 -0.107518D+01 -0.516422D+00 -0.150628D+01 0.000000D+00 23 0.377886D-01 0.515367D+00 -0.161208D+00 0.792496D+00 0.000000D+00 24 0.110648D+00 0.151403D+01 0.799046D+00 0.189092D+01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397483D+00 26 -0.160979D+00 -0.163965D+01 0.205638D+01 0.123376D+00 0.000000D+00 27 -0.259533D-02 -0.113635D+00 0.142250D+00 -0.122298D+00 0.000000D+00 28 -0.256625D-02 -0.112679D+00 -0.865254D-01 -0.164949D+00 0.000000D+00 29 0.000000D+00 -0.260407D-05 0.214121D-05 -0.105063D-04 0.000000D+00 30 -0.278500D-05 -0.526068D-02 0.231246D-02 -0.113668D-01 0.000000D+00 31 -0.229349D-05 -0.230981D-02 -0.628651D-03 -0.506595D-02 0.000000D+00 32 0.112426D-04 0.112842D-01 -0.503402D-02 0.230585D-01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.147534D-02 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 -0.147550D-03 0.219563D-05 -0.384762D-03 0.000000D+00 36 0.000000D+00 0.222384D-05 -0.450259D-04 0.716611D-05 0.000000D+00 37 0.000000D+00 0.389829D-03 -0.456794D-05 0.975285D-03 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.401891D-04 39 0.000000D+00 -0.465738D-03 -0.209292D-03 -0.103050D-02 0.000000D+00 40 -0.224874D-05 -0.164699D-02 0.138915D-02 -0.322870D-02 0.000000D+00 41 0.000000D+00 -0.637510D-05 0.101915D-05 -0.171569D-04 0.000000D+00 42 -0.915081D-05 -0.879472D+00 -0.326271D+00 0.142924D+01 0.000000D+00 43 -0.941271D+00 -0.571917D+01 -0.133771D+01 0.601703D+01 0.000000D+00 44 0.350409D+00 0.150041D+01 -0.253621D+01 -0.195876D+01 0.000000D+00 45 -0.152994D+01 -0.629571D+01 -0.185235D+01 0.520358D+01 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.289684D+01 47 -0.156361D+00 -0.152835D+01 -0.118982D+01 0.148272D+01 0.000000D+00 48 0.000000D+00 -0.326618D-01 0.166652D-01 0.768482D-01 0.000000D+00 49 -0.370762D-01 -0.809852D+00 0.234147D+00 0.118283D+01 0.000000D+00 50 -0.189664D-01 -0.289024D+00 -0.220174D+00 0.458815D+00 0.000000D+00 51 -0.874174D-01 -0.120947D+01 0.385900D+00 0.160378D+01 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.293305D+00 53 -0.234516D-01 -0.402779D+00 0.323304D+00 0.478942D+00 0.000000D+00 54 -0.185184D-02 -0.824785D-01 0.675686D-02 0.136659D+00 0.000000D+00 55 -0.345213D-04 -0.110807D+01 -0.136212D+01 -0.123297D+01 0.000000D+00 56 -0.113576D+01 -0.673014D+01 -0.517631D+01 -0.495472D+01 0.000000D+00 57 0.139908D+01 0.557726D+01 0.180883D+01 0.513730D+01 0.000000D+00 58 0.126068D+01 0.471980D+01 0.466634D+01 0.720060D+00 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.351991D+01 60 -0.163415D+00 -0.163718D+01 -0.194236D+01 -0.647472D+00 0.000000D+00 6 7 8 9 10 6 -0.315189D+02 7 -0.769492D+01 -0.184348D+02 8 -0.891185D-01 -0.104080D+01 -0.175555D+02 9 -0.504368D-01 -0.585976D+00 0.136843D+00 -0.176969D+02 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.168992D+02 11 -0.482306D-04 -0.116173D+01 0.354603D+00 -0.189218D+01 0.000000D+00 12 -0.116534D+01 -0.676797D+01 0.101556D+01 -0.713835D+01 0.000000D+00 13 -0.362251D+00 -0.166721D+01 -0.335428D+01 -0.213422D+01 0.000000D+00 14 0.189684D+01 0.703293D+01 -0.143772D+01 0.573351D+01 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.357229D+01 16 0.000000D+00 -0.499882D-01 -0.377886D-01 -0.110648D+00 0.000000D+00 17 -0.489788D-01 -0.107518D+01 -0.515367D+00 -0.151403D+01 0.000000D+00 18 0.369119D-01 0.516422D+00 -0.161208D+00 0.799046D+00 0.000000D+00 19 0.108402D+00 0.150628D+01 0.792496D+00 0.189092D+01 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.397483D+00 21 0.000000D+00 -0.120617D-01 -0.243310D-01 -0.210461D-01 0.000000D+00 22 -0.120617D-01 -0.479655D+00 -0.583206D+00 -0.503940D+00 0.000000D+00 23 0.243310D-01 0.583206D+00 0.578561D+00 0.661947D+00 0.000000D+00 24 0.210461D-01 0.503940D+00 0.661947D+00 0.382506D+00 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.166182D+00 26 -0.189401D+01 -0.790757D+01 0.510936D+01 0.445162D+01 0.000000D+00 27 -0.164226D+00 -0.161680D+01 0.110915D+01 -0.170021D+01 0.000000D+00 28 -0.349788D-03 -0.337982D-01 -0.461234D-01 -0.396526D-01 0.000000D+00 29 0.000000D+00 -0.761446D-04 -0.332863D-04 -0.272607D-03 0.000000D+00 30 -0.801023D-04 -0.309718D-01 -0.820252D-02 -0.602100D-01 0.000000D+00 31 0.347506D-04 0.644458D-02 -0.799921D-02 0.125836D-01 0.000000D+00 32 0.286868D-03 0.610397D-01 0.162229D-01 0.112258D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.894147D-02 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 -0.511370D-03 -0.345872D-03 -0.121130D-02 0.000000D+00 36 0.000000D+00 0.331626D-03 0.768185D-04 0.788926D-03 0.000000D+00 37 0.000000D+00 0.123224D-02 0.836477D-03 0.277700D-02 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.138956D-03 39 0.000000D+00 -0.494869D-03 -0.514620D-03 -0.992719D-03 0.000000D+00 40 -0.177786D-03 -0.210745D-01 0.469094D-02 -0.379523D-01 0.000000D+00 41 0.000000D+00 -0.350029D-04 -0.159998D-04 -0.868447D-04 0.000000D+00 42 0.000000D+00 -0.314892D-01 -0.498330D-01 0.582100D-01 0.000000D+00 43 -0.329458D-01 -0.802777D+00 -0.825368D+00 0.891725D+00 0.000000D+00 44 0.521095D-01 0.765149D+00 0.547416D+00 -0.930838D+00 0.000000D+00 45 -0.610031D-01 -0.959791D+00 -0.106650D+01 0.842087D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.290206D+00 47 -0.204775D-02 -0.963592D-01 -0.128184D+00 0.965482D-01 0.000000D+00 48 0.000000D+00 -0.336939D-02 -0.254262D-02 0.947197D-02 0.000000D+00 49 -0.373835D-02 -0.210205D+00 -0.104171D+00 0.338025D+00 0.000000D+00 50 0.280804D-02 0.805319D-01 -0.337240D-01 -0.138451D+00 0.000000D+00 51 -0.105288D-01 -0.351538D+00 -0.183438D+00 0.522639D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.704445D-01 53 -0.232880D-01 -0.375459D+00 0.322610D-01 0.536024D+00 0.000000D+00 54 -0.103002D-03 -0.135320D-01 -0.774612D-02 0.240824D-01 0.000000D+00 55 0.000000D+00 -0.542388D-01 -0.123078D+00 -0.239200D-01 0.000000D+00 56 -0.544145D-01 -0.114960D+01 -0.166484D+01 -0.309378D+00 0.000000D+00 57 0.123496D+00 0.166139D+01 0.218097D+01 0.494567D+00 0.000000D+00 58 0.239215D-01 0.335454D+00 0.533528D+00 -0.373645D+00 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.427530D+00 60 -0.271320D-02 -0.120175D+00 -0.198114D+00 -0.630383D-02 0.000000D+00 11 12 13 14 15 11 -0.314102D+02 12 -0.766791D+01 -0.183262D+02 13 -0.105005D+00 -0.122530D+01 -0.173711D+02 14 0.202337D-01 0.233511D+00 -0.701377D-01 -0.176597D+02 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.167951D+02 16 -0.345213D-04 -0.113576D+01 -0.139908D+01 -0.126068D+01 0.000000D+00 17 -0.110807D+01 -0.673014D+01 -0.557726D+01 -0.471980D+01 0.000000D+00 18 0.136212D+01 0.517631D+01 0.180883D+01 0.466634D+01 0.000000D+00 19 0.123297D+01 0.495472D+01 0.513730D+01 0.720060D+00 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.351991D+01 21 0.000000D+00 -0.544145D-01 -0.123496D+00 -0.239215D-01 0.000000D+00 22 -0.542388D-01 -0.114960D+01 -0.166139D+01 -0.335454D+00 0.000000D+00 23 0.123078D+00 0.166484D+01 0.218097D+01 0.533528D+00 0.000000D+00 24 0.239200D-01 0.309378D+00 0.494567D+00 -0.373645D+00 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.427530D+00 26 -0.165194D+00 -0.163123D+01 0.416708D+00 0.200961D+01 0.000000D+00 27 -0.188217D+01 -0.780010D+01 0.626186D+01 -0.223570D+01 0.000000D+00 28 -0.265909D-02 -0.119156D+00 -0.185219D+00 -0.670727D-01 0.000000D+00 29 0.000000D+00 -0.376144D-01 -0.258319D-01 -0.861148D-01 0.000000D+00 30 -0.393326D-01 -0.873395D+00 -0.432389D+00 -0.123210D+01 0.000000D+00 31 0.268527D-01 0.322146D+00 -0.166077D+00 0.504149D+00 0.000000D+00 32 0.901428D-01 0.128237D+01 0.683605D+00 0.162635D+01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.320019D+00 34 0.000000D+00 -0.861421D-04 -0.129677D-03 -0.279285D-03 0.000000D+00 35 -0.950633D-04 -0.322262D-01 -0.273340D-01 -0.565502D-01 0.000000D+00 36 0.143052D-03 0.260094D-01 0.130176D-01 0.472628D-01 0.000000D+00 37 0.308691D-03 0.579440D-01 0.507755D-01 0.940178D-01 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.934386D-02 39 -0.740178D-04 -0.127885D-01 -0.153522D-01 -0.184192D-01 0.000000D+00 40 -0.412076D-01 -0.579483D+00 0.616083D-01 -0.802823D+00 0.000000D+00 41 -0.903379D-05 -0.341579D-02 -0.204003D-02 -0.663299D-02 0.000000D+00 42 0.000000D+00 -0.653069D-04 -0.118971D-03 0.205175D-03 0.000000D+00 43 -0.683184D-04 -0.287492D-01 -0.290450D-01 0.487970D-01 0.000000D+00 44 0.124394D-03 0.280676D-01 0.198920D-01 -0.487891D-01 0.000000D+00 45 -0.214749D-03 -0.498474D-01 -0.514921D-01 0.780658D-01 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.827682D-02 47 -0.899051D-05 -0.381563D-02 -0.505706D-02 0.591961D-02 0.000000D+00 48 0.000000D+00 -0.120201D-05 -0.119829D-05 0.492344D-05 0.000000D+00 49 -0.133289D-05 -0.322694D-02 -0.183748D-02 0.687641D-02 0.000000D+00 50 0.132381D-05 0.157599D-02 -0.936307D-04 -0.337887D-02 0.000000D+00 51 -0.546480D-05 -0.718808D-02 -0.411912D-02 0.144813D-01 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.914227D-03 53 -0.899800D-04 -0.131786D-01 -0.736175D-03 0.243151D-01 0.000000D+00 54 0.000000D+00 -0.136886D-03 -0.885122D-04 0.310128D-03 0.000000D+00 55 0.000000D+00 -0.126116D-01 -0.316711D-01 0.109250D-01 0.000000D+00 56 -0.126116D-01 -0.492501D+00 -0.746363D+00 0.257124D+00 0.000000D+00 57 0.316711D-01 0.746363D+00 0.102955D+01 -0.420830D+00 0.000000D+00 58 -0.109250D-01 -0.257124D+00 -0.420830D+00 -0.496307D-01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.170978D+00 60 -0.365107D-03 -0.347354D-01 -0.589680D-01 0.203452D-01 0.000000D+00 16 17 18 19 20 16 -0.322729D+02 17 -0.788218D+01 -0.191954D+02 18 -0.140200D-01 -0.162277D+00 -0.183282D+02 19 0.471856D-01 0.541674D+00 0.201550D-01 -0.185129D+02 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.175879D+02 21 -0.353481D-04 -0.111553D+01 -0.173558D+01 0.639181D+00 0.000000D+00 22 -0.113985D+01 -0.677763D+01 -0.671433D+01 0.266070D+01 0.000000D+00 23 0.177482D+01 0.696629D+01 0.508864D+01 -0.339582D+01 0.000000D+00 24 -0.649535D+00 -0.233388D+01 -0.297728D+01 -0.254979D+01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.354685D+01 26 -0.256625D-02 -0.112679D+00 0.865254D-01 0.164949D+00 0.000000D+00 27 -0.163415D+00 -0.163718D+01 0.194236D+01 0.647472D+00 0.000000D+00 28 -0.160979D+00 -0.163965D+01 -0.205638D+01 -0.123376D+00 0.000000D+00 29 -0.915081D-05 -0.879472D+00 0.326271D+00 -0.142924D+01 0.000000D+00 30 -0.941271D+00 -0.571917D+01 0.133771D+01 -0.601703D+01 0.000000D+00 31 -0.350409D+00 -0.150041D+01 -0.253621D+01 -0.195876D+01 0.000000D+00 32 0.152994D+01 0.629571D+01 -0.185235D+01 0.520358D+01 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.289684D+01 34 0.000000D+00 -0.326618D-01 -0.166652D-01 -0.768482D-01 0.000000D+00 35 -0.370762D-01 -0.809852D+00 -0.234147D+00 -0.118283D+01 0.000000D+00 36 0.189664D-01 0.289024D+00 -0.220174D+00 0.458815D+00 0.000000D+00 37 0.874174D-01 0.120947D+01 0.385900D+00 0.160378D+01 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.293305D+00 39 -0.234516D-01 -0.402779D+00 -0.323304D+00 -0.478942D+00 0.000000D+00 40 -0.156361D+00 -0.152835D+01 0.118982D+01 -0.148272D+01 0.000000D+00 41 -0.185184D-02 -0.824785D-01 -0.675686D-02 -0.136659D+00 0.000000D+00 42 0.000000D+00 -0.260407D-05 -0.214121D-05 0.105063D-04 0.000000D+00 43 -0.278500D-05 -0.526068D-02 -0.231246D-02 0.113668D-01 0.000000D+00 44 0.229349D-05 0.230981D-02 -0.628651D-03 -0.506595D-02 0.000000D+00 45 -0.112426D-04 -0.112842D-01 -0.503402D-02 0.230585D-01 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.147534D-02 47 -0.224874D-05 -0.164699D-02 -0.138915D-02 0.322870D-02 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 -0.147550D-03 -0.219563D-05 0.384762D-03 0.000000D+00 50 0.000000D+00 -0.222384D-05 -0.450259D-04 0.716611D-05 0.000000D+00 51 0.000000D+00 -0.389829D-03 -0.456794D-05 0.975285D-03 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.401891D-04 53 0.000000D+00 -0.465738D-03 0.209292D-03 0.103050D-02 0.000000D+00 54 0.000000D+00 -0.637510D-05 -0.101915D-05 0.171569D-04 0.000000D+00 55 0.000000D+00 -0.501546D-01 -0.758874D-01 0.889487D-01 0.000000D+00 56 -0.513541D-01 -0.109332D+01 -0.105265D+01 0.122557D+01 0.000000D+00 57 0.778118D-01 0.105283D+01 0.672237D+00 -0.129540D+01 0.000000D+00 58 -0.910544D-01 -0.123678D+01 -0.130739D+01 0.107704D+01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.404846D+00 60 -0.259533D-02 -0.113635D+00 -0.142250D+00 0.122298D+00 0.000000D+00 21 22 23 24 25 21 -0.315189D+02 22 -0.769492D+01 -0.184348D+02 23 0.891185D-01 0.104080D+01 -0.175555D+02 24 0.504368D-01 0.585976D+00 0.136843D+00 -0.176969D+02 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.168992D+02 26 -0.349788D-03 -0.337982D-01 0.461234D-01 0.396526D-01 0.000000D+00 27 -0.271320D-02 -0.120175D+00 0.198114D+00 0.630383D-02 0.000000D+00 28 -0.189401D+01 -0.790757D+01 -0.510936D+01 -0.445162D+01 0.000000D+00 29 0.000000D+00 -0.314892D-01 0.498330D-01 -0.582100D-01 0.000000D+00 30 -0.329458D-01 -0.802777D+00 0.825368D+00 -0.891725D+00 0.000000D+00 31 -0.521095D-01 -0.765149D+00 0.547416D+00 -0.930838D+00 0.000000D+00 32 0.610031D-01 0.959791D+00 -0.106650D+01 0.842087D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.290206D+00 34 0.000000D+00 -0.336939D-02 0.254262D-02 -0.947197D-02 0.000000D+00 35 -0.373835D-02 -0.210205D+00 0.104171D+00 -0.338025D+00 0.000000D+00 36 -0.280804D-02 -0.805319D-01 -0.337240D-01 -0.138451D+00 0.000000D+00 37 0.105288D-01 0.351538D+00 -0.183438D+00 0.522639D+00 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.704445D-01 39 -0.232880D-01 -0.375459D+00 -0.322610D-01 -0.536024D+00 0.000000D+00 40 -0.204775D-02 -0.963592D-01 0.128184D+00 -0.965482D-01 0.000000D+00 41 -0.103002D-03 -0.135320D-01 0.774612D-02 -0.240824D-01 0.000000D+00 42 0.000000D+00 -0.761446D-04 0.332863D-04 0.272607D-03 0.000000D+00 43 -0.801023D-04 -0.309718D-01 0.820252D-02 0.602100D-01 0.000000D+00 44 -0.347506D-04 -0.644458D-02 -0.799921D-02 0.125836D-01 0.000000D+00 45 -0.286868D-03 -0.610397D-01 0.162229D-01 0.112258D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.894147D-02 47 -0.177786D-03 -0.210745D-01 -0.469094D-02 0.379523D-01 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 -0.511370D-03 0.345872D-03 0.121130D-02 0.000000D+00 50 0.000000D+00 -0.331626D-03 0.768185D-04 0.788926D-03 0.000000D+00 51 0.000000D+00 -0.123224D-02 0.836477D-03 0.277700D-02 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.138956D-03 53 0.000000D+00 -0.494869D-03 0.514620D-03 0.992719D-03 0.000000D+00 54 0.000000D+00 -0.350029D-04 0.159998D-04 0.868447D-04 0.000000D+00 55 -0.482306D-04 -0.116173D+01 -0.354603D+00 0.189218D+01 0.000000D+00 56 -0.116534D+01 -0.676797D+01 -0.101556D+01 0.713835D+01 0.000000D+00 57 0.362251D+00 0.166721D+01 -0.335428D+01 -0.213422D+01 0.000000D+00 58 -0.189684D+01 -0.703293D+01 -0.143772D+01 0.573351D+01 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.357229D+01 60 -0.164226D+00 -0.161680D+01 -0.110915D+01 0.170021D+01 0.000000D+00 26 27 28 29 30 26 -0.135903D+02 27 -0.745080D+00 -0.133017D+02 28 -0.204732D-02 -0.136686D-01 -0.135903D+02 29 -0.720112D-05 -0.336535D-01 -0.252726D-01 -0.299515D+02 30 -0.324751D-02 -0.515363D+00 -0.443324D+00 -0.730563D+01 -0.168665D+02 31 0.168490D-02 0.443109D+00 -0.564582D+00 -0.568955D-01 -0.659509D+00 32 0.648702D-02 0.585820D+00 0.309014D+00 0.580356D-01 0.695070D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 -0.164095D-03 -0.240499D-01 -0.119053D-03 -0.119200D+01 35 -0.358072D-04 -0.200092D-01 -0.394089D+00 -0.126703D+01 -0.638080D+01 36 0.321213D-04 0.229324D-01 -0.311846D+00 0.136144D+01 0.428247D+01 37 0.855487D-04 0.285564D-01 0.482770D+00 0.159832D+01 0.532677D+01 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 -0.274357D-04 -0.423604D-02 -0.111723D+01 -0.165700D+00 -0.156263D+01 40 -0.407691D-02 -0.829766D+00 -0.418862D-01 -0.178997D+01 -0.729421D+01 41 -0.315419D-05 -0.388872D-02 -0.368277D-01 -0.170994D+00 -0.149872D+01 42 -0.252726D-01 -0.555354D-05 -0.720112D-05 0.000000D+00 0.000000D+00 43 -0.443324D+00 -0.282170D-02 -0.324751D-02 0.000000D+00 -0.123453D-04 44 0.564582D+00 0.357547D-02 -0.168490D-02 0.000000D+00 0.736590D-05 45 -0.309014D+00 -0.464960D-02 -0.648702D-02 0.000000D+00 -0.350144D-04 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 -0.418862D-01 -0.284959D-03 -0.407691D-02 0.000000D+00 -0.559929D-05 48 -0.240499D-01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 -0.394089D+00 -0.590230D-03 -0.358072D-04 0.000000D+00 0.000000D+00 50 0.311846D+00 0.499790D-03 -0.321213D-04 0.000000D+00 0.000000D+00 51 -0.482770D+00 -0.123281D-02 -0.855487D-04 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 -0.111723D+01 -0.434274D-02 -0.274357D-04 0.000000D+00 -0.166832D-05 54 -0.368277D-01 -0.259877D-04 -0.315419D-05 0.000000D+00 0.000000D+00 55 -0.265909D-02 -0.365107D-03 -0.165194D+00 0.000000D+00 -0.683184D-04 56 -0.119156D+00 -0.347354D-01 -0.163123D+01 -0.653069D-04 -0.287492D-01 57 0.185219D+00 0.589680D-01 -0.416708D+00 0.118971D-03 0.290450D-01 58 0.670727D-01 -0.203452D-01 -0.200961D+01 -0.205175D-03 -0.487970D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 -0.136686D-01 -0.210383D-02 -0.745080D+00 -0.555354D-05 -0.282170D-02 31 32 33 34 35 31 -0.158095D+02 32 -0.121219D+00 -0.162553D+02 33 0.000000D+00 0.000000D+00 -0.153826D+02 34 -0.128429D+01 -0.150070D+01 0.000000D+00 -0.279947D+02 35 -0.437176D+01 -0.475725D+01 0.000000D+00 -0.681964D+01 -0.149043D+02 36 0.283839D+00 0.415758D+01 0.000000D+00 0.395120D-01 0.453391D+00 37 0.460847D+01 0.156277D+01 0.000000D+00 0.101801D+00 0.117960D+01 38 0.000000D+00 0.000000D+00 -0.342767D+01 0.000000D+00 0.000000D+00 39 -0.177818D+01 -0.784311D+00 0.000000D+00 -0.169311D+01 -0.669903D+01 40 0.621681D+01 -0.103346D+01 0.000000D+00 -0.169320D+00 -0.159724D+01 41 -0.549605D+00 -0.174867D+01 0.000000D+00 -0.168575D+01 -0.633590D+01 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 -0.736590D-05 0.350144D-04 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 -0.209005D-04 0.000000D+00 0.000000D+00 0.000000D+00 45 -0.209005D-04 0.954312D-04 0.000000D+00 0.000000D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 -0.345743D-05 0.000000D+00 0.000000D+00 47 -0.547257D-05 0.142465D-04 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.151405D-05 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.470907D-05 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 -0.124394D-03 0.214749D-03 0.000000D+00 0.000000D+00 -0.133289D-05 56 -0.280676D-01 0.498474D-01 0.000000D+00 -0.120201D-05 -0.322694D-02 57 0.198920D-01 -0.514921D-01 0.000000D+00 0.119829D-05 0.183748D-02 58 -0.487891D-01 0.780658D-01 0.000000D+00 -0.492344D-05 -0.687641D-02 59 0.000000D+00 0.000000D+00 -0.827682D-02 0.000000D+00 0.000000D+00 60 -0.357547D-02 0.464960D-02 0.000000D+00 0.000000D+00 -0.590230D-03 36 37 38 39 40 36 -0.139096D+02 37 -0.205189D+00 -0.141264D+02 38 0.000000D+00 0.000000D+00 -0.135294D+02 39 -0.579974D+01 0.123913D+01 0.000000D+00 -0.118264D+02 40 0.181039D+01 0.901897D+00 0.000000D+00 -0.227888D+00 -0.125702D+02 41 0.189282D+01 -0.501596D+01 0.000000D+00 -0.188487D+01 -0.701508D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.000000D+00 0.000000D+00 -0.166832D-05 -0.559929D-05 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.547257D-05 45 0.000000D+00 0.151405D-05 0.000000D+00 -0.470907D-05 -0.142465D-04 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 -0.279360D-05 -0.135275D-05 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 -0.279360D-05 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 -0.132381D-05 0.546480D-05 0.000000D+00 -0.899800D-04 -0.899051D-05 56 -0.157599D-02 0.718808D-02 0.000000D+00 -0.131786D-01 -0.381563D-02 57 -0.936307D-04 -0.411912D-02 0.000000D+00 0.736175D-03 0.505706D-02 58 -0.337887D-02 0.144813D-01 0.000000D+00 -0.243151D-01 -0.591961D-02 59 0.000000D+00 0.000000D+00 -0.914227D-03 0.000000D+00 0.000000D+00 60 -0.499790D-03 0.123281D-02 0.000000D+00 -0.434274D-02 -0.284959D-03 41 42 43 44 45 41 -0.105976D+02 42 0.000000D+00 -0.299515D+02 43 0.000000D+00 -0.730563D+01 -0.168665D+02 44 0.000000D+00 0.568955D-01 0.659509D+00 -0.158095D+02 45 0.000000D+00 -0.580356D-01 -0.695070D+00 -0.121219D+00 -0.162553D+02 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 -0.178997D+01 -0.729421D+01 -0.621681D+01 0.103346D+01 48 0.000000D+00 -0.119053D-03 -0.119200D+01 0.128429D+01 0.150070D+01 49 0.000000D+00 -0.126703D+01 -0.638080D+01 0.437176D+01 0.475725D+01 50 0.000000D+00 -0.136144D+01 -0.428247D+01 0.283839D+00 0.415758D+01 51 0.000000D+00 -0.159832D+01 -0.532677D+01 0.460847D+01 0.156277D+01 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 -0.165700D+00 -0.156263D+01 0.177818D+01 0.784311D+00 54 0.000000D+00 -0.170994D+00 -0.149872D+01 0.549605D+00 0.174867D+01 55 0.000000D+00 0.000000D+00 -0.393326D-01 -0.268527D-01 -0.901428D-01 56 -0.136886D-03 -0.376144D-01 -0.873395D+00 -0.322146D+00 -0.128237D+01 57 0.885122D-04 0.258319D-01 0.432389D+00 -0.166077D+00 0.683605D+00 58 -0.310128D-03 0.861148D-01 0.123210D+01 0.504149D+00 0.162635D+01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 -0.259877D-04 -0.336535D-01 -0.515363D+00 -0.443109D+00 -0.585820D+00 46 47 48 49 50 46 -0.153826D+02 47 0.000000D+00 -0.125702D+02 48 0.000000D+00 -0.169320D+00 -0.279947D+02 49 0.000000D+00 -0.159724D+01 -0.681964D+01 -0.149043D+02 50 0.000000D+00 -0.181039D+01 -0.395120D-01 -0.453391D+00 -0.139096D+02 51 0.000000D+00 -0.901897D+00 -0.101801D+00 -0.117960D+01 -0.205189D+00 52 -0.342767D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 -0.227888D+00 -0.169311D+01 -0.669903D+01 0.579974D+01 54 0.000000D+00 -0.701508D+00 -0.168575D+01 -0.633590D+01 -0.189282D+01 55 0.000000D+00 -0.412076D-01 0.000000D+00 -0.950633D-04 -0.143052D-03 56 0.000000D+00 -0.579483D+00 -0.861421D-04 -0.322262D-01 -0.260094D-01 57 0.000000D+00 -0.616083D-01 0.129677D-03 0.273340D-01 0.130176D-01 58 0.000000D+00 0.802823D+00 0.279285D-03 0.565502D-01 0.472628D-01 59 -0.320019D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.000000D+00 -0.829766D+00 -0.164095D-03 -0.200092D-01 -0.229324D-01 51 52 53 54 55 51 -0.141264D+02 52 0.000000D+00 -0.135294D+02 53 -0.123913D+01 0.000000D+00 -0.118264D+02 54 0.501596D+01 0.000000D+00 -0.188487D+01 -0.105976D+02 55 -0.308691D-03 0.000000D+00 -0.740178D-04 -0.903379D-05 -0.314102D+02 56 -0.579440D-01 0.000000D+00 -0.127885D-01 -0.341579D-02 -0.766791D+01 57 0.507755D-01 0.000000D+00 0.153522D-01 0.204003D-02 0.105005D+00 58 0.940178D-01 0.000000D+00 0.184192D-01 0.663299D-02 -0.202337D-01 59 0.000000D+00 -0.934386D-02 0.000000D+00 0.000000D+00 0.000000D+00 60 -0.285564D-01 0.000000D+00 -0.423604D-02 -0.388872D-02 -0.188217D+01 56 57 58 59 60 56 -0.183262D+02 57 0.122530D+01 -0.173711D+02 58 -0.233511D+00 -0.701377D-01 -0.176597D+02 59 0.000000D+00 0.000000D+00 0.000000D+00 -0.167951D+02 60 -0.780010D+01 -0.626186D+01 0.223570D+01 0.000000D+00 -0.133017D+02 SVDSVc IR=1 SVDSVc V= 4.98D+00 4.54D+00 4.07D+00 3.82D+00 3.77D+00 3.38D+00 2.98D+00 2.67D+00 2.39D+00 2.34D+00 SVDSVc V= 1.98D+00 1.96D+00 1.93D+00 1.88D+00 1.85D+00 8.08D-01 7.06D-01 6.85D-01 6.42D-01 6.29D-01 SVDSVc V= 5.96D-01 5.67D-01 4.47D-01 4.32D-01 3.86D-01 SVDSVc IR=2 SVDSVc V= 2.69D+00 2.36D+00 2.19D+00 1.52D+00 1.20D+00 SVDSVc IR=3 SVDSVc V= 3.03D+00 2.44D+00 1.68D+00 1.55D+00 1.35D+00 SVDSVc IR=4 SVDSVc V= 4.65D+00 4.39D+00 4.11D+00 3.63D+00 3.31D+00 3.04D+00 2.90D+00 2.85D+00 2.70D+00 2.50D+00 SVDSVc V= 2.00D+00 1.94D+00 1.88D+00 1.85D+00 1.85D+00 8.55D-01 8.10D-01 7.19D-01 6.42D-01 5.98D-01 SVDSVc V= 5.81D-01 5.25D-01 4.98D-01 3.90D-01 3.63D-01 TstOVc: Largest diagonal error= 3.11D-15 IB=1 I= 1. TstOVc: Largest same sym error= 1.65D-15 IB=4 I= 57 J= 56. TstOVc: Largest diff sym error= 3.63D-16 IB=4 JB=1 I= 58 J= 23. Orthogonalized basis functions: 1 2 3 4 5 1 0.542703D-01-0.119152D-01 0.221035D-01 0.727068D-01-0.638217D-02 2 0.211628D+00-0.458504D-01 0.608970D-01 0.161465D+00-0.269625D-01 3-0.209278D-01-0.120511D-02 0.213806D+00-0.690525D-01 0.294840D-01 4 0.107047D+00 0.143464D+00-0.389470D-01-0.700541D-01 0.174217D+00 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.545309D-01 0.786279D-02-0.551324D-01-0.179465D-01-0.410776D-01 7 0.210546D+00 0.208137D-01-0.133880D+00-0.425182D-01-0.105875D+00 8 0.878976D-01 0.212544D-01 0.539543D-02 0.200546D+00 0.166830D+00 9 0.730159D-01 0.918880D-01 0.665933D-01-0.130797D+00 0.139740D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.544828D-01 0.172588D-01 0.400916D-01-0.633126D-01-0.381483D-02 12 0.210473D+00 0.482088D-01 0.103009D+00-0.144853D+00-0.231533D-01 13 0.108981D+00 0.454256D-01-0.421833D-01 0.170090D+00 0.179043D+00 14-0.356932D-01-0.500562D-01 0.168253D+00 0.995222D-01 0.706072D-02 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.542703D-01-0.119152D-01 0.221035D-01 0.727068D-01-0.638217D-02 17 0.211628D+00-0.458504D-01 0.608970D-01 0.161465D+00-0.269625D-01 18 0.209278D-01 0.120511D-02-0.213806D+00 0.690525D-01-0.294840D-01 19-0.107047D+00-0.143464D+00 0.389470D-01 0.700541D-01-0.174217D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.545309D-01 0.786279D-02-0.551324D-01-0.179465D-01-0.410776D-01 22 0.210546D+00 0.208137D-01-0.133880D+00-0.425182D-01-0.105875D+00 23-0.878976D-01-0.212544D-01-0.539543D-02-0.200546D+00-0.166830D+00 24-0.730159D-01-0.918880D-01-0.665933D-01 0.130797D+00-0.139740D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.741289D-01-0.364409D-01-0.121101D+00-0.715917D-01-0.200939D+00 27 0.730566D-01-0.508522D-02 0.125955D+00-0.173433D+00-0.116399D+00 28 0.741289D-01-0.364409D-01-0.121101D+00-0.715917D-01-0.200939D+00 29 0.152468D-01-0.717978D-01 0.390114D-01 0.232067D-01-0.120984D-01 30 0.662662D-01-0.234589D+00 0.104437D+00 0.577304D-01-0.227445D-01 31 0.123525D-01-0.519575D-01-0.153656D+00 0.581693D-01-0.349418D-01 32-0.386802D-01-0.538100D-01-0.735748D-01-0.139612D+00 0.149999D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.781329D-02-0.710858D-01-0.372786D-01-0.360341D-01 0.534468D-01 35 0.319426D-01-0.233210D+00-0.924880D-01-0.845575D-01 0.125243D+00 36-0.178696D-03 0.449688D-01-0.804336D-01 0.221796D-01-0.579420D-01 37-0.214817D-01 0.594250D-01-0.951563D-03-0.103903D+00 0.115228D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.248745D-01-0.130450D+00-0.114334D+00-0.386120D-01 0.262894D-01 40 0.329950D-01-0.126642D+00 0.151111D+00-0.203219D-01 0.187016D-01 41 0.100472D-01-0.125340D+00-0.465111D-01-0.118584D+00 0.159782D+00 42 0.152468D-01-0.717978D-01 0.390114D-01 0.232067D-01-0.120984D-01 43 0.662662D-01-0.234589D+00 0.104437D+00 0.577304D-01-0.227445D-01 44-0.123525D-01 0.519575D-01 0.153656D+00-0.581693D-01 0.349418D-01 45 0.386802D-01 0.538100D-01 0.735748D-01 0.139612D+00-0.149999D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.329950D-01-0.126642D+00 0.151111D+00-0.203219D-01 0.187016D-01 48 0.781329D-02-0.710858D-01-0.372786D-01-0.360341D-01 0.534468D-01 49 0.319426D-01-0.233210D+00-0.924880D-01-0.845575D-01 0.125243D+00 50 0.178696D-03-0.449688D-01 0.804336D-01-0.221796D-01 0.579420D-01 51 0.214817D-01-0.594250D-01 0.951563D-03 0.103903D+00-0.115228D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.248745D-01-0.130450D+00-0.114334D+00-0.386120D-01 0.262894D-01 54 0.100472D-01-0.125340D+00-0.465111D-01-0.118584D+00 0.159782D+00 55 0.544828D-01 0.172588D-01 0.400916D-01-0.633126D-01-0.381483D-02 56 0.210473D+00 0.482088D-01 0.103009D+00-0.144853D+00-0.231533D-01 57-0.108981D+00-0.454256D-01 0.421833D-01-0.170090D+00-0.179043D+00 58 0.356932D-01 0.500562D-01-0.168253D+00-0.995222D-01-0.706072D-02 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.730566D-01-0.508522D-02 0.125955D+00-0.173433D+00-0.116399D+00 6 7 8 9 10 1 0.318133D-01-0.539232D-01 0.706316D-01-0.180361D-01 0.276735D-01 2 0.536502D-01-0.737772D-01 0.745104D-01-0.240356D-01 0.205274D-01 3 0.122484D+00 0.190106D-01-0.825214D-01 0.375568D-01 0.322258D+00 4-0.969028D-02 0.221333D-01-0.681882D-02 0.286448D+00-0.962101D-02 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6-0.589276D-01-0.382022D-01-0.185639D-01-0.286869D-01-0.405100D-01 7-0.104178D+00-0.620277D-01-0.133558D-01-0.116195D-01-0.129800D-01 8 0.234395D-01 0.116138D-01 0.911609D-01-0.446447D-02-0.298641D+00 9 0.956031D-02 0.185567D+00-0.122895D+00-0.260271D+00 0.181483D-01 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.397135D-01 0.505218D-01 0.259719D-01-0.417133D-02 0.560021D-01 12 0.758247D-01 0.645730D-01 0.396722D-01-0.152967D-02 0.235294D-01 13-0.362307D-01-0.219319D-01-0.132250D+00 0.505349D-01 0.262656D+00 14 0.154798D+00-0.847730D-01 0.143982D+00 0.286911D+00 0.365288D-01 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.318133D-01-0.539232D-01 0.706316D-01-0.180361D-01 0.276735D-01 17 0.536502D-01-0.737772D-01 0.745104D-01-0.240356D-01 0.205274D-01 18-0.122484D+00-0.190106D-01 0.825214D-01-0.375568D-01-0.322258D+00 19 0.969028D-02-0.221333D-01 0.681882D-02-0.286448D+00 0.962101D-02 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21-0.589276D-01-0.382022D-01-0.185639D-01-0.286869D-01-0.405100D-01 22-0.104178D+00-0.620277D-01-0.133558D-01-0.116195D-01-0.129800D-01 23-0.234395D-01-0.116138D-01-0.911609D-01 0.446447D-02 0.298641D+00 24-0.956031D-02-0.185567D+00 0.122895D+00 0.260271D+00-0.181483D-01 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26-0.678034D-01-0.130781D+00-0.284189D-01 0.171511D+00 0.191718D+00 27 0.998869D-01 0.356858D-01 0.158136D+00 0.501553D-01-0.229040D+00 28-0.678034D-01-0.130781D+00-0.284189D-01 0.171511D+00 0.191718D+00 29-0.602673D-01 0.623712D-01-0.452579D-01-0.977387D-01 0.272573D-01 30-0.106342D+00 0.753148D-01-0.565882D-01-0.730638D-01 0.120340D-01 31 0.127382D+00 0.219271D+00 0.237486D+00-0.811390D-01 0.131223D+00 32-0.144202D+00 0.133805D+00 0.519346D-01 0.273707D+00-0.445552D-01 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.435608D-01 0.274901D-01 0.291845D-01 0.267822D-01 0.333369D-01 35 0.883650D-01 0.271832D-01 0.191826D-01 0.642884D-02 0.181831D-01 36 0.268440D+00-0.424368D-01-0.280828D+00 0.160538D-01-0.121938D+00 37 0.333176D-01-0.348300D+00 0.713529D-01-0.149344D+00 0.678969D-03 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.225673D+00 0.399312D-02-0.223413D+00 0.693619D-01-0.849289D-01 40-0.166971D+00-0.829419D-01-0.217229D+00 0.744069D-01-0.145848D+00 41 0.298884D-01-0.215051D+00 0.140182D+00-0.137311D+00 0.508176D-01 42-0.602673D-01 0.623712D-01-0.452579D-01-0.977387D-01 0.272573D-01 43-0.106342D+00 0.753148D-01-0.565882D-01-0.730638D-01 0.120340D-01 44-0.127382D+00-0.219271D+00-0.237486D+00 0.811390D-01-0.131223D+00 45 0.144202D+00-0.133805D+00-0.519346D-01-0.273707D+00 0.445552D-01 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47-0.166971D+00-0.829419D-01-0.217229D+00 0.744069D-01-0.145848D+00 48 0.435608D-01 0.274901D-01 0.291845D-01 0.267822D-01 0.333369D-01 49 0.883650D-01 0.271832D-01 0.191826D-01 0.642884D-02 0.181831D-01 50-0.268440D+00 0.424368D-01 0.280828D+00-0.160538D-01 0.121938D+00 51-0.333176D-01 0.348300D+00-0.713529D-01 0.149344D+00-0.678969D-03 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.225673D+00 0.399312D-02-0.223413D+00 0.693619D-01-0.849289D-01 54 0.298884D-01-0.215051D+00 0.140182D+00-0.137311D+00 0.508176D-01 55 0.397135D-01 0.505218D-01 0.259719D-01-0.417133D-02 0.560021D-01 56 0.758247D-01 0.645730D-01 0.396722D-01-0.152967D-02 0.235294D-01 57 0.362307D-01 0.219319D-01 0.132250D+00-0.505349D-01-0.262656D+00 58-0.154798D+00 0.847730D-01-0.143982D+00-0.286911D+00-0.365288D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.998869D-01 0.356858D-01 0.158136D+00 0.501553D-01-0.229040D+00 11 12 13 14 15 1-0.395542D+00 0.312290D+00-0.174631D+00 0.197999D+00-0.384660D+00 2-0.330740D-01 0.166405D-01-0.187582D-03-0.194481D-01 0.654440D-01 3-0.523433D-01-0.113554D+00-0.641410D-01 0.523362D-01 0.269220D-01 4 0.339815D-01-0.302677D-02-0.113899D+00-0.685275D-01-0.514406D-01 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6-0.398864D-01-0.540298D+00-0.786895D-02 0.356654D+00-0.235049D+00 7-0.176433D-02-0.270447D-01-0.202830D-02-0.363120D-01 0.424380D-01 8 0.721307D-01-0.295732D-01 0.456345D-01-0.275199D-01 0.227761D-01 9-0.103109D+00-0.314480D-02-0.563753D-01 0.180135D-01 0.517353D-01 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.313183D+00 0.201919D+00 0.464025D+00 0.200229D+00-0.283721D+00 12 0.256721D-01 0.946595D-02 0.540721D-03-0.250228D-01 0.477565D-01 13 0.377713D-01-0.245547D-01 0.185736D-01-0.619343D-02 0.569632D-01 14 0.771888D-01-0.124967D+00-0.258432D-01 0.186990D-01-0.205551D-01 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16-0.395542D+00 0.312290D+00-0.174631D+00 0.197999D+00-0.384660D+00 17-0.330740D-01 0.166405D-01-0.187582D-03-0.194481D-01 0.654440D-01 18 0.523433D-01 0.113554D+00 0.641410D-01-0.523362D-01-0.269220D-01 19-0.339815D-01 0.302677D-02 0.113899D+00 0.685275D-01 0.514406D-01 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21-0.398864D-01-0.540298D+00-0.786895D-02 0.356654D+00-0.235049D+00 22-0.176433D-02-0.270447D-01-0.202830D-02-0.363120D-01 0.424380D-01 23-0.721307D-01 0.295732D-01-0.456345D-01 0.275199D-01-0.227761D-01 24 0.103109D+00 0.314480D-02 0.563753D-01-0.180135D-01-0.517353D-01 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.250219D-01 0.694902D-01-0.228450D-01-0.783296D-01 0.399578D-01 27-0.209047D-01-0.278021D-01-0.878577D-01-0.598436D-01 0.400339D-01 28 0.250219D-01 0.694902D-01-0.228450D-01-0.783296D-01 0.399578D-01 29 0.322393D+00-0.417373D-01-0.316361D+00-0.305353D+00-0.410053D+00 30 0.248268D-01-0.159804D-02 0.352276D-02 0.245981D-01 0.623831D-01 31 0.386947D-01-0.247551D-01-0.483146D-01 0.470614D-01 0.706693D-01 32-0.163758D-01 0.602219D-01-0.728604D-01 0.898571D-01-0.622947D-01 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34-0.315568D+00-0.183846D+00 0.346027D+00-0.429349D+00-0.201782D+00 35-0.196790D-01-0.810543D-02 0.250459D-03 0.386097D-01 0.323342D-01 36 0.194605D-01 0.735701D-02-0.152139D-01-0.277884D-01-0.639367D-01 37 0.559487D-01 0.149544D-02-0.118775D-01-0.614457D-01-0.434222D-01 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.381990D-01 0.412836D-01-0.639043D-01 0.777606D-01 0.299249D-02 40-0.537164D-01 0.453853D-01 0.788458D-01 0.375198D-01 0.470747D-01 41 0.758412D-01 0.147047D-01-0.511663D-01 0.521826D-01 0.581477D-01 42 0.322393D+00-0.417373D-01-0.316361D+00-0.305353D+00-0.410053D+00 43 0.248268D-01-0.159804D-02 0.352276D-02 0.245981D-01 0.623831D-01 44-0.386947D-01 0.247551D-01 0.483146D-01-0.470614D-01-0.706693D-01 45 0.163758D-01-0.602219D-01 0.728604D-01-0.898571D-01 0.622947D-01 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47-0.537164D-01 0.453853D-01 0.788458D-01 0.375198D-01 0.470747D-01 48-0.315568D+00-0.183846D+00 0.346027D+00-0.429349D+00-0.201782D+00 49-0.196790D-01-0.810543D-02 0.250459D-03 0.386097D-01 0.323342D-01 50-0.194605D-01-0.735701D-02 0.152139D-01 0.277884D-01 0.639367D-01 51-0.559487D-01-0.149544D-02 0.118775D-01 0.614457D-01 0.434222D-01 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.381990D-01 0.412836D-01-0.639043D-01 0.777606D-01 0.299249D-02 54 0.758412D-01 0.147047D-01-0.511663D-01 0.521826D-01 0.581477D-01 55 0.313183D+00 0.201919D+00 0.464025D+00 0.200229D+00-0.283721D+00 56 0.256721D-01 0.946595D-02 0.540721D-03-0.250228D-01 0.477565D-01 57-0.377713D-01 0.245547D-01-0.185736D-01 0.619343D-02-0.569632D-01 58-0.771888D-01 0.124967D+00 0.258432D-01-0.186990D-01 0.205551D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60-0.209047D-01-0.278021D-01-0.878577D-01-0.598436D-01 0.400339D-01 16 17 18 19 20 1 0.588280D-01-0.789865D-01 0.145838D-01 0.514783D-02-0.537629D-02 2-0.185297D+00 0.303338D+00-0.681720D-01-0.161442D-01 0.257355D-01 3-0.138225D+00-0.875344D-01-0.197876D+00 0.161065D+00-0.142678D+00 4 0.356215D+00-0.803399D-01-0.381343D+00-0.158160D-01 0.557759D+00 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.320308D-01-0.741697D-01 0.322447D-01-0.124676D-01 0.208522D-01 7-0.107757D+00 0.280574D+00-0.120790D+00 0.339451D-01-0.919652D-01 8-0.156661D+00-0.441555D+00-0.146778D+00-0.132846D+00-0.370957D+00 9-0.177842D-01-0.245612D+00 0.115828D-01-0.557182D+00-0.222877D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.240020D-01-0.841352D-01 0.454964D-02 0.117267D-01 0.168435D-01 12-0.849346D-01 0.316129D+00-0.173750D-01-0.305650D-01-0.671525D-01 13 0.899488D-01-0.173139D+00 0.642346D+00 0.391173D+00-0.706716D-01 14 0.153154D-01 0.993175D-01 0.235871D-01-0.463488D+00-0.145664D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.588280D-01-0.789865D-01 0.145838D-01 0.514783D-02-0.537629D-02 17-0.185297D+00 0.303338D+00-0.681720D-01-0.161442D-01 0.257355D-01 18 0.138225D+00 0.875344D-01 0.197876D+00-0.161065D+00 0.142678D+00 19-0.356215D+00 0.803399D-01 0.381343D+00 0.158160D-01-0.557759D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.320308D-01-0.741697D-01 0.322447D-01-0.124676D-01 0.208522D-01 22-0.107757D+00 0.280574D+00-0.120790D+00 0.339451D-01-0.919652D-01 23 0.156661D+00 0.441555D+00 0.146778D+00 0.132846D+00 0.370957D+00 24 0.177842D-01 0.245612D+00-0.115828D-01 0.557182D+00 0.222877D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26-0.166960D-02-0.594017D+00-0.845111D-02-0.398792D+00-0.322367D+00 27 0.118091D+00-0.381047D+00 0.512281D+00 0.456226D+00 0.189992D-01 28-0.166960D-02-0.594017D+00-0.845111D-02-0.398792D+00-0.322367D+00 29 0.294160D-02 0.267875D-01 0.342602D-01-0.180994D-01-0.420154D-01 30-0.887842D-02-0.606125D-01-0.105385D+00 0.527525D-01 0.161452D+00 31 0.387384D+00 0.813193D-01 0.302378D+00-0.377996D+00 0.185032D+00 32-0.304739D+00 0.314214D+00 0.252214D+00-0.108571D-01-0.475165D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.610942D-02-0.335159D-01-0.128794D-01 0.507116D-02-0.294288D-02 35-0.201008D-01 0.993174D-01 0.235292D-01-0.316579D-02 0.283750D-01 36 0.354084D+00 0.312156D+00 0.551033D-01 0.374551D-01-0.493209D+00 37-0.243921D+00 0.135336D+00 0.431486D+00-0.344357D+00 0.268034D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39-0.419423D+00-0.255463D+00-0.109003D-01-0.290380D-01 0.438977D+00 40 0.474546D+00 0.934233D-01 0.258831D+00-0.347139D+00 0.122591D+00 41 0.396114D+00-0.100461D+00-0.364784D+00 0.280921D+00-0.339934D+00 42 0.294160D-02 0.267875D-01 0.342602D-01-0.180994D-01-0.420154D-01 43-0.887842D-02-0.606125D-01-0.105385D+00 0.527525D-01 0.161452D+00 44-0.387384D+00-0.813193D-01-0.302378D+00 0.377996D+00-0.185032D+00 45 0.304739D+00-0.314214D+00-0.252214D+00 0.108571D-01 0.475165D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.474546D+00 0.934233D-01 0.258831D+00-0.347139D+00 0.122591D+00 48 0.610942D-02-0.335159D-01-0.128794D-01 0.507116D-02-0.294288D-02 49-0.201008D-01 0.993174D-01 0.235292D-01-0.316579D-02 0.283750D-01 50-0.354084D+00-0.312156D+00-0.551033D-01-0.374551D-01 0.493209D+00 51 0.243921D+00-0.135336D+00-0.431486D+00 0.344357D+00-0.268034D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53-0.419423D+00-0.255463D+00-0.109003D-01-0.290380D-01 0.438977D+00 54 0.396114D+00-0.100461D+00-0.364784D+00 0.280921D+00-0.339934D+00 55 0.240020D-01-0.841352D-01 0.454964D-02 0.117267D-01 0.168435D-01 56-0.849346D-01 0.316129D+00-0.173750D-01-0.305650D-01-0.671525D-01 57-0.899488D-01 0.173139D+00-0.642346D+00-0.391173D+00 0.706716D-01 58-0.153154D-01-0.993175D-01-0.235871D-01 0.463488D+00 0.145664D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.118091D+00-0.381047D+00 0.512281D+00 0.456226D+00 0.189992D-01 21 22 23 24 25 1 0.101660D-01 0.296622D-02 0.186395D+00-0.798180D-01-0.690225D-01 2-0.409362D-01-0.789187D-03-0.926633D+00 0.396923D+00 0.346182D+00 3 0.547084D+00-0.443092D+00 0.934057D-01 0.347550D+00-0.124394D+00 4 0.200185D+00 0.205920D+00-0.168527D+00 0.764828D-01-0.118863D+00 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.313232D-02 0.175646D-01-0.156054D+00-0.134493D+00 0.578735D-01 7-0.194029D-01-0.856720D-01 0.778730D+00 0.686470D+00-0.316157D+00 8 0.406644D+00-0.297203D+00 0.213424D+00-0.139988D+00-0.672500D-01 9-0.300611D+00 0.321461D+00-0.829108D-01 0.340863D+00 0.327371D-01 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.276235D-01 0.476284D-01-0.364845D-01 0.204681D+00-0.101993D-01 12-0.115440D+00-0.207559D+00 0.186577D+00-0.104321D+01 0.630314D-01 13-0.216669D+00 0.955378D-01 0.162987D+00-0.110111D+00-0.107505D-02 14-0.463604D+00 0.307864D+00 0.399187D+00 0.149371D+00-0.114474D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.101660D-01 0.296622D-02 0.186395D+00-0.798180D-01-0.690225D-01 17-0.409362D-01-0.789187D-03-0.926633D+00 0.396923D+00 0.346182D+00 18-0.547084D+00 0.443092D+00-0.934057D-01-0.347550D+00 0.124394D+00 19-0.200185D+00-0.205920D+00 0.168527D+00-0.764828D-01 0.118863D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.313232D-02 0.175646D-01-0.156054D+00-0.134493D+00 0.578735D-01 22-0.194029D-01-0.856720D-01 0.778730D+00 0.686470D+00-0.316157D+00 23-0.406644D+00 0.297203D+00-0.213424D+00 0.139988D+00 0.672500D-01 24 0.300611D+00-0.321461D+00 0.829108D-01-0.340863D+00-0.327371D-01 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.143504D+00 0.714779D-01-0.247845D+00-0.215244D+00 0.110694D+00 27 0.216844D-01 0.121345D+00-0.628953D-01 0.322019D+00-0.204570D-01 28 0.143504D+00 0.714779D-01-0.247845D+00-0.215244D+00 0.110694D+00 29-0.448572D-01-0.118745D+00 0.908621D-02 0.471691D-01 0.170364D+00 30 0.218499D+00 0.531064D+00-0.747613D-01-0.236027D+00-0.938038D+00 31 0.180890D+00-0.386105D+00-0.491930D-01 0.666343D-01-0.311097D+00 32 0.326616D-01-0.115525D+00-0.370630D+00 0.958366D-01-0.319816D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34-0.100610D+00-0.921299D-01-0.685322D-01-0.626776D-02-0.163410D+00 35 0.406916D+00 0.427257D+00 0.362845D+00 0.147268D-01 0.912598D+00 36 0.262823D+00 0.238998D+00-0.167249D+00-0.283891D-01-0.287268D+00 37 0.364677D+00 0.822832D-01-0.527568D-01-0.473336D-01-0.344062D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39-0.393609D+00-0.372592D+00-0.335597D-01 0.330083D-01-0.207820D+00 40 0.212543D-01-0.514533D+00 0.347922D-01 0.982554D-01 0.213834D+00 41-0.410089D+00-0.201772D+00-0.143876D+00 0.110571D-01-0.201336D+00 42-0.448572D-01-0.118745D+00 0.908621D-02 0.471691D-01 0.170364D+00 43 0.218499D+00 0.531064D+00-0.747613D-01-0.236027D+00-0.938038D+00 44-0.180890D+00 0.386105D+00 0.491930D-01-0.666343D-01 0.311097D+00 45-0.326616D-01 0.115525D+00 0.370630D+00-0.958366D-01 0.319816D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.212543D-01-0.514533D+00 0.347922D-01 0.982554D-01 0.213834D+00 48-0.100610D+00-0.921299D-01-0.685322D-01-0.626776D-02-0.163410D+00 49 0.406916D+00 0.427257D+00 0.362845D+00 0.147268D-01 0.912598D+00 50-0.262823D+00-0.238998D+00 0.167249D+00 0.283891D-01 0.287268D+00 51-0.364677D+00-0.822832D-01 0.527568D-01 0.473336D-01 0.344062D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53-0.393609D+00-0.372592D+00-0.335597D-01 0.330083D-01-0.207820D+00 54-0.410089D+00-0.201772D+00-0.143876D+00 0.110571D-01-0.201336D+00 55 0.276235D-01 0.476284D-01-0.364845D-01 0.204681D+00-0.101993D-01 56-0.115440D+00-0.207559D+00 0.186577D+00-0.104321D+01 0.630314D-01 57 0.216669D+00-0.955378D-01-0.162987D+00 0.110111D+00 0.107505D-02 58 0.463604D+00-0.307864D+00-0.399187D+00-0.149371D+00 0.114474D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.216844D-01 0.121345D+00-0.628953D-01 0.322019D+00-0.204570D-01 26 27 28 29 30 1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 2 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 3 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 4 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 5 0.339063D+00-0.492587D-02-0.388013D+00-0.112757D-01-0.549813D+00 6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 7 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 8 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 9 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 10 0.130002D+00 0.458306D+00-0.231472D+00 0.235689D+00 0.464729D+00 11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 12 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 13 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 14 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 15-0.125972D+00 0.462970D+00 0.221199D+00-0.243812D+00-0.461936D+00 16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 17 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 18 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 19 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 20-0.339063D+00 0.492587D-02 0.388013D+00 0.112757D-01 0.549813D+00 21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 22 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 23 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 24 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 25-0.130002D+00-0.458306D+00 0.231472D+00-0.235689D+00-0.464729D+00 26 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 27 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 28 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 30 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 31 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 32 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 33-0.380941D+00 0.331053D-02-0.197379D+00 0.529621D+00-0.287481D+00 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 36 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 37 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 38-0.281118D+00-0.594734D-02-0.406691D+00-0.513038D+00 0.148333D+00 39 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 40 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 46 0.380941D+00-0.331053D-02 0.197379D+00-0.529621D+00 0.287481D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.281118D+00 0.594734D-02 0.406691D+00 0.513038D+00-0.148333D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 56 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 57 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 58 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 59 0.125972D+00-0.462970D+00-0.221199D+00 0.243812D+00 0.461936D+00 60 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 31 32 33 34 35 1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 2 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 3 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 4 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 5-0.333592D+00 0.189988D-01-0.415892D+00 0.252969D-01 0.522805D+00 6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 7 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 8 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 9 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 10-0.296159D+00 0.182959D+00 0.262538D+00 0.556425D+00-0.206588D+00 11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 12 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 13 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 14 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 15-0.296210D+00 0.185039D+00 0.226957D+00-0.580137D+00-0.179157D+00 16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 17 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 18 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 19 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 20-0.333592D+00 0.189988D-01-0.415892D+00 0.252969D-01 0.522805D+00 21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 22 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 23 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 24 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 25-0.296159D+00 0.182959D+00 0.262538D+00 0.556425D+00-0.206588D+00 26 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 27 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 28 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 30 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 31 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 32 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 33-0.182547D+00-0.402953D+00-0.286994D+00-0.231959D-02-0.518676D+00 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 36 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 37 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 38-0.987306D-01-0.423128D+00 0.467407D+00-0.975936D-02 0.349743D+00 39 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 40 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 46-0.182547D+00-0.402953D+00-0.286994D+00-0.231959D-02-0.518676D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52-0.987306D-01-0.423128D+00 0.467407D+00-0.975936D-02 0.349743D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 54 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 56 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 57 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 58 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 59-0.296210D+00 0.185039D+00 0.226957D+00-0.580137D+00-0.179157D+00 60 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 36 37 38 39 40 1-0.491847D-01 0.190222D-01-0.698876D-01-0.193541D-01 0.216520D-01 2-0.174435D+00 0.599347D-01-0.192385D+00-0.389750D-01 0.385609D-01 3 0.835658D-02 0.165687D+00 0.248015D-01 0.684948D-01 0.846241D-01 4 0.760297D-01 0.170469D-01-0.912625D-02-0.564850D-01 0.194130D+00 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6-0.285415D-01-0.614620D-01-0.584324D-01 0.129964D-01 0.598845D-01 7-0.980912D-01-0.190573D+00-0.163709D+00 0.318790D-01 0.107328D+00 8-0.309676D-01 0.836164D-01-0.348707D-01-0.910237D-01-0.464315D-01 9 0.728306D-01-0.449129D-01 0.629696D-01 0.132191D+00 0.496622D-01 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.146184D-01-0.786487D-01 0.156957D-01 0.559127D-01-0.343448D-01 12 0.511299D-01-0.244806D+00 0.433680D-01 0.124687D+00-0.599441D-01 13 0.139275D-01 0.501040D-01 0.428243D-01-0.262507D-01-0.492896D-01 14 0.814161D-01 0.154820D-01 0.132511D+00-0.799456D-01-0.187079D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.491847D-01-0.190222D-01 0.698876D-01 0.193541D-01-0.216520D-01 17 0.174435D+00-0.599347D-01 0.192385D+00 0.389750D-01-0.385609D-01 18 0.835658D-02 0.165687D+00 0.248015D-01 0.684948D-01 0.846241D-01 19 0.760297D-01 0.170469D-01-0.912625D-02-0.564850D-01 0.194130D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.285415D-01 0.614620D-01 0.584324D-01-0.129964D-01-0.598845D-01 22 0.980912D-01 0.190573D+00 0.163709D+00-0.318790D-01-0.107328D+00 23-0.309676D-01 0.836164D-01-0.348707D-01-0.910237D-01-0.464315D-01 24 0.728306D-01-0.449129D-01 0.629696D-01 0.132191D+00 0.496622D-01 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26-0.808681D-01-0.143950D+00-0.106700D+00-0.409409D-02 0.742469D-01 27 0.417428D-01-0.180633D+00 0.277396D-01 0.733561D-01-0.532307D-01 28 0.808681D-01 0.143950D+00 0.106700D+00 0.409409D-02-0.742469D-01 29 0.672684D-01-0.145611D-01-0.161937D-01-0.684646D-01 0.774050D-01 30 0.232259D+00-0.453096D-01-0.429471D-01-0.144779D+00 0.130010D+00 31 0.481699D-01 0.836119D-01-0.105386D-01 0.199110D+00 0.158050D+00 32-0.214925D-02 0.473044D-01-0.193652D+00-0.427521D-01-0.343546D-01 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.553608D-01 0.178388D-01-0.753084D-01 0.458996D-01-0.236407D-01 35 0.190581D+00 0.492645D-01-0.204009D+00 0.975932D-01-0.477727D-01 36-0.320412D-01 0.333605D-01 0.519139D-01 0.205122D+00-0.180800D-01 37-0.675436D-01-0.875385D-02-0.531532D-01 0.831265D-02-0.292072D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.112904D+00 0.580617D-01-0.922860D-01 0.192572D+00-0.279954D-01 40 0.122053D+00-0.744985D-01-0.424666D-01-0.220461D+00-0.225555D-01 41 0.921489D-01 0.211131D-01-0.169715D+00 0.327715D-01-0.215433D+00 42-0.672684D-01 0.145611D-01 0.161937D-01 0.684646D-01-0.774050D-01 43-0.232259D+00 0.453096D-01 0.429471D-01 0.144779D+00-0.130010D+00 44 0.481699D-01 0.836119D-01-0.105386D-01 0.199110D+00 0.158050D+00 45-0.214925D-02 0.473044D-01-0.193652D+00-0.427521D-01-0.343546D-01 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47-0.122053D+00 0.744985D-01 0.424666D-01 0.220461D+00 0.225555D-01 48-0.553608D-01-0.178388D-01 0.753084D-01-0.458996D-01 0.236407D-01 49-0.190581D+00-0.492645D-01 0.204009D+00-0.975932D-01 0.477727D-01 50-0.320412D-01 0.333605D-01 0.519139D-01 0.205122D+00-0.180800D-01 51-0.675436D-01-0.875385D-02-0.531532D-01 0.831265D-02-0.292072D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53-0.112904D+00-0.580617D-01 0.922860D-01-0.192572D+00 0.279954D-01 54-0.921489D-01-0.211131D-01 0.169715D+00-0.327715D-01 0.215433D+00 55-0.146184D-01 0.786487D-01-0.156957D-01-0.559127D-01 0.343448D-01 56-0.511299D-01 0.244806D+00-0.433680D-01-0.124687D+00 0.599441D-01 57 0.139275D-01 0.501040D-01 0.428243D-01-0.262507D-01-0.492896D-01 58 0.814161D-01 0.154820D-01 0.132511D+00-0.799456D-01-0.187079D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60-0.417428D-01 0.180633D+00-0.277396D-01-0.733561D-01 0.532307D-01 41 42 43 44 45 1-0.329493D-01 0.132351D+00-0.101971D-01 0.149903D-01-0.344221D-01 2-0.525588D-01 0.171041D+00-0.133908D-01 0.160407D-01-0.329626D-01 3 0.256916D+00 0.269200D-01-0.955445D-01-0.154226D+00-0.114930D+00 4-0.136065D+00 0.545384D-01-0.605202D-01-0.226313D+00 0.226737D+00 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6-0.551189D-01-0.560740D-01 0.691359D-01-0.209271D-01 0.492434D-01 7-0.820456D-01-0.734644D-01 0.812244D-01-0.157120D-01 0.366547D-01 8-0.226270D+00 0.214659D+00 0.169095D+00 0.858330D-01 0.145284D+00 9 0.132003D+00 0.154688D+00 0.278184D+00-0.137430D+00-0.143962D-01 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.286040D-01 0.572500D-01 0.818644D-01 0.719199D-01-0.102796D-01 12 0.409732D-01 0.735394D-01 0.966520D-01 0.786146D-01-0.221940D-02 13-0.409218D-01-0.259164D+00 0.307385D+00 0.956485D-01-0.429191D-01 14-0.112479D+00-0.237069D-01-0.183463D+00 0.208544D+00 0.529176D-01 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.329493D-01-0.132351D+00 0.101971D-01-0.149903D-01 0.344221D-01 17 0.525588D-01-0.171041D+00 0.133908D-01-0.160407D-01 0.329626D-01 18 0.256916D+00 0.269200D-01-0.955445D-01-0.154226D+00-0.114930D+00 19-0.136065D+00 0.545384D-01-0.605202D-01-0.226313D+00 0.226737D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.551189D-01 0.560740D-01-0.691359D-01 0.209271D-01-0.492434D-01 22 0.820456D-01 0.734644D-01-0.812244D-01 0.157120D-01-0.366547D-01 23-0.226270D+00 0.214659D+00 0.169095D+00 0.858330D-01 0.145284D+00 24 0.132003D+00 0.154688D+00 0.278184D+00-0.137430D+00-0.143962D-01 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.236366D-01-0.255074D+00-0.175484D+00 0.160836D-02-0.318896D-01 27 0.300276D-01 0.237916D+00-0.198763D+00 0.332935D-01 0.305531D-01 28-0.236366D-01 0.255074D+00 0.175484D+00-0.160836D-02 0.318896D-01 29-0.110689D-01-0.866834D-02 0.457147D-02-0.133428D-02 0.883795D-02 30-0.221647D-01-0.223056D-01 0.526592D-02-0.152893D-01 0.196643D-02 31 0.383005D-01-0.410201D-01-0.351485D-01 0.186493D+00 0.252497D+00 32 0.176108D+00 0.871024D-01 0.326362D-01 0.231375D+00-0.160592D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34-0.488388D-02-0.185579D-01-0.130731D-01 0.609663D-01 0.193356D-01 35-0.188368D-01-0.297777D-01-0.177164D-01 0.499443D-01 0.149042D-01 36-0.255723D+00-0.158365D-01-0.483071D-01-0.112474D+00-0.227966D+00 37 0.371454D-01-0.437397D-01 0.806632D-02-0.250161D+00 0.136768D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39-0.196212D+00-0.299953D-02-0.301086D-01-0.316210D-01-0.207939D+00 40-0.190103D-01 0.419900D-01 0.204517D-01-0.120922D+00-0.246951D+00 41 0.663581D-01-0.508551D-01 0.363843D-02-0.130143D+00 0.191084D+00 42 0.110689D-01 0.866834D-02-0.457147D-02 0.133428D-02-0.883795D-02 43 0.221647D-01 0.223056D-01-0.526592D-02 0.152893D-01-0.196643D-02 44 0.383005D-01-0.410201D-01-0.351485D-01 0.186493D+00 0.252497D+00 45 0.176108D+00 0.871024D-01 0.326362D-01 0.231375D+00-0.160592D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.190103D-01-0.419900D-01-0.204517D-01 0.120922D+00 0.246951D+00 48 0.488388D-02 0.185579D-01 0.130731D-01-0.609663D-01-0.193356D-01 49 0.188368D-01 0.297777D-01 0.177164D-01-0.499443D-01-0.149042D-01 50-0.255723D+00-0.158365D-01-0.483071D-01-0.112474D+00-0.227966D+00 51 0.371454D-01-0.437397D-01 0.806632D-02-0.250161D+00 0.136768D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.196212D+00 0.299953D-02 0.301086D-01 0.316210D-01 0.207939D+00 54-0.663581D-01 0.508551D-01-0.363843D-02 0.130143D+00-0.191084D+00 55-0.286040D-01-0.572500D-01-0.818644D-01-0.719199D-01 0.102796D-01 56-0.409732D-01-0.735394D-01-0.966520D-01-0.786146D-01 0.221940D-02 57-0.409218D-01-0.259164D+00 0.307385D+00 0.956485D-01-0.429191D-01 58-0.112479D+00-0.237069D-01-0.183463D+00 0.208544D+00 0.529176D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60-0.300276D-01-0.237916D+00 0.198763D+00-0.332935D-01-0.305531D-01 46 47 48 49 50 1 0.331401D+00-0.139432D+00 0.106412D+00-0.522289D+00 0.232754D+00 2 0.348886D-01-0.166796D-03-0.592524D-02 0.755214D-01-0.372874D-01 3-0.118336D-02 0.217521D-01-0.541380D-02-0.713331D-01-0.128546D+00 4-0.414414D-02-0.103681D+00-0.122618D+00 0.175822D-01-0.217704D-01 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6-0.295447D+00 0.281578D+00 0.811032D-01-0.423477D+00-0.345159D+00 7-0.275287D-01 0.392877D-02-0.653150D-02 0.606587D-01 0.504979D-01 8-0.497952D-01 0.183911D-01-0.213624D-01 0.108629D+00-0.239948D-01 9-0.445560D-01-0.188953D-02 0.722854D-01-0.474821D-02 0.103027D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.310723D+00-0.174805D+00-0.326200D+00-0.180299D-01-0.486228D+00 12 0.296394D-01-0.152475D-02 0.293654D-01 0.928232D-03 0.738398D-01 13 0.581637D-01-0.281550D-01 0.157474D-01-0.528456D-01 0.890130D-01 14-0.897807D-02 0.486650D-01 0.504355D-02-0.124360D+00-0.333950D-01 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16-0.331401D+00 0.139432D+00-0.106412D+00 0.522289D+00-0.232754D+00 17-0.348886D-01 0.166796D-03 0.592524D-02-0.755214D-01 0.372874D-01 18-0.118336D-02 0.217521D-01-0.541380D-02-0.713331D-01-0.128546D+00 19-0.414414D-02-0.103681D+00-0.122618D+00 0.175822D-01-0.217704D-01 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.295447D+00-0.281578D+00-0.811032D-01 0.423477D+00 0.345159D+00 22 0.275287D-01-0.392877D-02 0.653150D-02-0.606587D-01-0.504979D-01 23-0.497952D-01 0.183911D-01-0.213624D-01 0.108629D+00-0.239948D-01 24-0.445560D-01-0.188953D-02 0.722854D-01-0.474821D-02 0.103027D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.788389D-01-0.660427D-01-0.444109D-01 0.332049D-01 0.499826D-01 27-0.764595D-01 0.668575D-01 0.633047D-01 0.145992D-01 0.434074D-01 28-0.788389D-01 0.660427D-01 0.444109D-01-0.332049D-01-0.499826D-01 29 0.360127D+00 0.275514D+00 0.451905D+00 0.180673D+00-0.187596D+00 30 0.386989D-01 0.634436D-03-0.430966D-01-0.330471D-01 0.303427D-01 31 0.400106D-01 0.454151D-01-0.475265D-01-0.232837D-01 0.586346D-01 32-0.728019D-01 0.103642D+00-0.455605D-01 0.638129D-01-0.416291D-02 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34-0.181125D+00-0.507823D+00 0.388765D+00 0.144347D-01-0.189237D+00 35-0.139160D-01-0.497245D-02-0.396034D-01-0.565374D-02 0.296021D-01 36 0.344031D-01 0.131359D-01 0.422721D-01 0.284590D-01-0.366174D-01 37 0.593846D-01 0.155017D-01 0.630977D-01 0.517377D-02-0.388356D-01 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.179035D-01 0.905514D-01-0.602280D-01 0.188274D-01 0.189980D-01 40-0.690547D-01-0.519750D-01-0.724860D-01-0.341574D-01-0.339554D-02 41 0.609197D-01 0.746452D-01-0.563206D-01-0.235065D-01 0.392472D-01 42-0.360127D+00-0.275514D+00-0.451905D+00-0.180673D+00 0.187596D+00 43-0.386989D-01-0.634436D-03 0.430966D-01 0.330471D-01-0.303427D-01 44 0.400106D-01 0.454151D-01-0.475265D-01-0.232837D-01 0.586346D-01 45-0.728019D-01 0.103642D+00-0.455605D-01 0.638129D-01-0.416291D-02 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.690547D-01 0.519750D-01 0.724860D-01 0.341574D-01 0.339554D-02 48 0.181125D+00 0.507823D+00-0.388765D+00-0.144347D-01 0.189237D+00 49 0.139160D-01 0.497245D-02 0.396034D-01 0.565374D-02-0.296021D-01 50 0.344031D-01 0.131359D-01 0.422721D-01 0.284590D-01-0.366174D-01 51 0.593846D-01 0.155017D-01 0.630977D-01 0.517377D-02-0.388356D-01 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53-0.179035D-01-0.905514D-01 0.602280D-01-0.188274D-01-0.189980D-01 54-0.609197D-01-0.746452D-01 0.563206D-01 0.235065D-01-0.392472D-01 55-0.310723D+00 0.174805D+00 0.326200D+00 0.180299D-01 0.486228D+00 56-0.296394D-01 0.152475D-02-0.293654D-01-0.928232D-03-0.738398D-01 57 0.581637D-01-0.281550D-01 0.157474D-01-0.528456D-01 0.890130D-01 58-0.897807D-02 0.486650D-01 0.504355D-02-0.124360D+00-0.333950D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.764595D-01-0.668575D-01-0.633047D-01-0.145992D-01-0.434074D-01 51 52 53 54 55 1-0.302286D-01-0.199208D-01 0.367073D-01-0.127497D-01 0.466988D-01 2 0.833139D-01 0.537901D-01-0.129920D+00 0.431357D-01-0.214256D+00 3 0.372624D+00-0.283618D+00 0.195998D+00 0.871544D-01-0.111196D+00 4-0.235832D+00-0.441725D+00-0.606301D-01-0.218304D-01 0.359926D-01 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6-0.350978D-02-0.443784D-02-0.787826D-02 0.280424D-01 0.410794D-01 7 0.147711D-01 0.546212D-02 0.125902D-01-0.106283D+00-0.186716D+00 8 0.368254D+00-0.261831D+00 0.140715D+00 0.121144D+00 0.496663D-01 9-0.141287D+00-0.346101D+00-0.382538D+00 0.141615D+00-0.150187D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.244884D-03 0.436390D-02 0.181948D-01 0.235043D-01 0.116590D-01 12 0.195437D-02-0.150305D-01-0.419758D-01-0.970132D-01-0.433017D-01 13 0.318607D+00-0.284853D+00 0.315518D+00 0.897970D-01 0.308704D-01 14-0.107948D+00-0.398066D+00-0.352449D+00 0.195319D-01-0.301840D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.302286D-01 0.199208D-01-0.367073D-01 0.127497D-01-0.466988D-01 17-0.833139D-01-0.537901D-01 0.129920D+00-0.431357D-01 0.214256D+00 18 0.372624D+00-0.283618D+00 0.195998D+00 0.871544D-01-0.111196D+00 19-0.235832D+00-0.441725D+00-0.606301D-01-0.218304D-01 0.359926D-01 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.350978D-02 0.443784D-02 0.787826D-02-0.280424D-01-0.410794D-01 22-0.147711D-01-0.546212D-02-0.125902D-01 0.106283D+00 0.186716D+00 23 0.368254D+00-0.261831D+00 0.140715D+00 0.121144D+00 0.496663D-01 24-0.141287D+00-0.346101D+00-0.382538D+00 0.141615D+00-0.150187D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.173798D+00-0.484857D+00-0.995456D-01 0.231636D+00-0.204665D-01 27 0.374909D+00-0.142013D+00 0.432211D+00 0.138859D+00 0.144291D+00 28-0.173798D+00 0.484857D+00 0.995456D-01-0.231636D+00 0.204665D-01 29-0.648932D-02-0.461443D-01-0.511834D-01-0.210525D-01-0.780270D-01 30 0.228907D-01 0.126290D+00 0.170283D+00 0.424620D-01 0.360279D+00 31 0.318015D+00 0.710354D-01-0.161805D+00-0.593544D+00-0.290510D+00 32-0.245293D+00-0.376287D+00-0.150945D+00-0.140545D+00 0.273318D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.445546D-02 0.595646D-02 0.345875D-02 0.458117D-01-0.108440D+00 35-0.123810D-01-0.326684D-02 0.550702D-02-0.145642D+00 0.450088D+00 36 0.257090D+00-0.286100D-01-0.455758D+00-0.747514D-01 0.541494D+00 37-0.105867D+00-0.215393D+00 0.246770D+00-0.653862D+00 0.123260D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39-0.289600D+00-0.703502D-01 0.451831D+00 0.974220D-01-0.627142D+00 40 0.387263D+00 0.570501D-01-0.254943D+00-0.485876D+00-0.431219D+00 41 0.232906D+00 0.228040D+00-0.350282D+00 0.576894D+00-0.190440D+00 42 0.648932D-02 0.461443D-01 0.511834D-01 0.210525D-01 0.780270D-01 43-0.228907D-01-0.126290D+00-0.170283D+00-0.424620D-01-0.360279D+00 44 0.318015D+00 0.710354D-01-0.161805D+00-0.593544D+00-0.290510D+00 45-0.245293D+00-0.376287D+00-0.150945D+00-0.140545D+00 0.273318D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47-0.387263D+00-0.570501D-01 0.254943D+00 0.485876D+00 0.431219D+00 48-0.445546D-02-0.595646D-02-0.345875D-02-0.458117D-01 0.108440D+00 49 0.123810D-01 0.326684D-02-0.550702D-02 0.145642D+00-0.450088D+00 50 0.257090D+00-0.286100D-01-0.455758D+00-0.747514D-01 0.541494D+00 51-0.105867D+00-0.215393D+00 0.246770D+00-0.653862D+00 0.123260D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.289600D+00 0.703502D-01-0.451831D+00-0.974220D-01 0.627142D+00 54-0.232906D+00-0.228040D+00 0.350282D+00-0.576894D+00 0.190440D+00 55-0.244884D-03-0.436390D-02-0.181948D-01-0.235043D-01-0.116590D-01 56-0.195437D-02 0.150305D-01 0.419758D-01 0.970132D-01 0.433017D-01 57 0.318607D+00-0.284853D+00 0.315518D+00 0.897970D-01 0.308704D-01 58-0.107948D+00-0.398066D+00-0.352449D+00 0.195319D-01-0.301840D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60-0.374909D+00 0.142013D+00-0.432211D+00-0.138859D+00-0.144291D+00 56 57 58 59 60 1-0.195374D-01 0.730492D-01 0.125209D+00 0.925726D-02-0.155399D+00 2 0.391421D-01-0.361953D+00-0.615997D+00-0.330659D-01 0.845307D+00 3 0.738367D-01 0.555391D+00-0.390804D+00 0.651534D-01-0.773536D-01 4-0.522393D+00 0.121777D+00 0.114878D+00 0.242336D+00 0.321085D+00 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.624496D-01-0.721931D-01 0.110962D+00 0.257082D-01 0.156936D+00 7-0.240923D+00 0.354732D+00-0.570795D+00-0.139649D+00-0.868539D+00 8 0.465825D+00 0.341414D+00 0.291230D+00 0.179678D-03-0.255136D+00 9 0.283386D+00-0.478939D+00-0.136426D+00-0.157786D+00-0.230674D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11-0.288325D-01-0.146538D+00 0.610025D-02-0.454382D-01-0.154100D+00 12 0.933568D-01 0.714209D+00-0.282556D-01 0.263605D+00 0.850446D+00 13-0.467901D+00-0.231823D+00-0.197232D+00 0.669724D-01 0.319039D+00 14 0.158361D-01 0.549513D-01-0.581171D+00-0.819925D-01-0.128614D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.195374D-01-0.730492D-01-0.125209D+00-0.925726D-02 0.155399D+00 17-0.391421D-01 0.361953D+00 0.615997D+00 0.330659D-01-0.845307D+00 18 0.738367D-01 0.555391D+00-0.390804D+00 0.651534D-01-0.773536D-01 19-0.522393D+00 0.121777D+00 0.114878D+00 0.242336D+00 0.321085D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21-0.624496D-01 0.721931D-01-0.110962D+00-0.257082D-01-0.156936D+00 22 0.240923D+00-0.354732D+00 0.570795D+00 0.139649D+00 0.868539D+00 23 0.465825D+00 0.341414D+00 0.291230D+00 0.179678D-03-0.255136D+00 24 0.283386D+00-0.478939D+00-0.136426D+00-0.157786D+00-0.230674D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.520965D+00-0.185923D+00 0.349556D+00-0.123471D-01 0.137292D+00 27-0.375902D+00-0.468411D+00 0.213414D-02-0.632562D-01-0.125155D+00 28-0.520965D+00 0.185923D+00-0.349556D+00 0.123471D-01-0.137292D+00 29-0.686337D-01-0.838848D-02 0.761852D-01 0.167852D+00-0.484621D-01 30 0.294458D+00 0.455767D-01-0.354430D+00-0.930605D+00 0.248255D+00 31-0.107619D-01-0.128218D+00 0.173143D+00-0.300008D+00 0.720345D-01 32-0.383654D+00 0.182445D+00 0.340494D+00-0.369303D+00-0.286194D-01 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34-0.532464D-01 0.398179D-01 0.625458D-01-0.168028D+00 0.297936D-01 35 0.245526D+00-0.179106D+00-0.327593D+00 0.934179D+00-0.167351D+00 36-0.171280D+00 0.959495D-01-0.303860D-02-0.309300D+00 0.307448D-01 37 0.155775D+00-0.557772D-01-0.617108D-01-0.345474D+00 0.768162D-01 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.691317D-01 0.497611D-02 0.177316D+00-0.196237D+00 0.593642D-01 40-0.841965D-01-0.975189D-01 0.225556D+00 0.222617D+00-0.430866D-01 41-0.269345D+00 0.138547D+00 0.170480D+00-0.213403D+00 0.259636D-01 42 0.686337D-01 0.838848D-02-0.761852D-01-0.167852D+00 0.484621D-01 43-0.294458D+00-0.455767D-01 0.354430D+00 0.930605D+00-0.248255D+00 44-0.107619D-01-0.128218D+00 0.173143D+00-0.300008D+00 0.720345D-01 45-0.383654D+00 0.182445D+00 0.340494D+00-0.369303D+00-0.286194D-01 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.841965D-01 0.975189D-01-0.225556D+00-0.222617D+00 0.430866D-01 48 0.532464D-01-0.398179D-01-0.625458D-01 0.168028D+00-0.297936D-01 49-0.245526D+00 0.179106D+00 0.327593D+00-0.934179D+00 0.167351D+00 50-0.171280D+00 0.959495D-01-0.303860D-02-0.309300D+00 0.307448D-01 51 0.155775D+00-0.557772D-01-0.617108D-01-0.345474D+00 0.768162D-01 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53-0.691317D-01-0.497611D-02-0.177316D+00 0.196237D+00-0.593642D-01 54 0.269345D+00-0.138547D+00-0.170480D+00 0.213403D+00-0.259636D-01 55 0.288325D-01 0.146538D+00-0.610025D-02 0.454382D-01 0.154100D+00 56-0.933568D-01-0.714209D+00 0.282556D-01-0.263605D+00-0.850446D+00 57-0.467901D+00-0.231823D+00-0.197232D+00 0.669724D-01 0.319039D+00 58 0.158361D-01 0.549513D-01-0.581171D+00-0.819925D-01-0.128614D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.375902D+00 0.468411D+00-0.213414D-02 0.632562D-01 0.125155D+00 NBasis= 60 RedAO= T NBF= 25 5 5 25 NBsUse= 60 1.00D-06 NBFU= 25 5 5 25 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 1258 NPtTot= 160096 NUsed= 165798 NTot= 165814 NSgBfM= 59 59 59 59. IGWInf( 1) = 32 (NGWInf) IGWInf( 2) = 20 (NAtomA) IGWInf( 3) = 4 (IRadAn) IGWInf( 4) = -1 (IRanWt) IGWInf( 5) = 0 (IRanGd) IGWInf( 6) = 2 (IRType) IGWInf( 7) = 1258 (NRdTot) IGWInf( 8) = 160096 (NGWTot) IGWInf( 9) = 160096 (LGWBtD) IGWInf(10) = 4 (NAtBtD) IGWInf(11) = 5 (NIRBtD) IGWInf(12) = 2 (NRRBtD) IGWInf(13) = 1 (NClRep) IGWInf(14) = 0 (ICntr3) IGWInf(15) = 0 (IPFlag) IGWInf(16) = 1 (IGet) IGWInf(17) = 1 IGWInf(18) = 59 IGWInf(19) = 59 IGWInf(20) = 59 IGWInf(21) = 59 IGWInf(22) = 20 IGWInf(23) = 20 IGWInf(24) = 0 IGWInf(25) = 0 IGWInf(26) = 0 IGWInf(27) = 0 IGWInf(28) = 0 IGWInf(29) = 0 IGWInf(30) = 0 IGWInf(31) = 0 IGWInf(32) = 0 IAtBtD: 1 2 3 4 5 1 0 62 124 186 248 2 1 2 3 4 5 3 0 7900 15800 23554 31454 4 62 62 62 62 62 6 7 8 9 10 1 310 373 436 499 561 2 6 7 8 9 10 3 39354 47376 55398 63420 71320 4 63 63 63 62 63 11 12 13 14 15 1 624 688 752 816 878 2 11 12 13 14 15 3 79366 87534 95702 103870 111770 4 64 64 64 62 64 16 17 18 19 20 1 942 1005 1069 1133 1195 2 16 17 18 19 20 3 119938 127984 136152 144320 152074 4 63 64 64 62 63 Leave Link 302 at Tue Jun 08 16:54:34 2004, MaxMem= 13107200 cpu: 3.0 (Enter C:\Gaussian\l303.exe) DipDrv will not compute anything. Fermi contact integrals: 1 2 3 4 5 1 0.614289D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 2 0.215555D+00 0.340554D-01 0.134744D-02 0.232388D-03 0.131036D-02 3 0.000000D+00-0.530818D-01-0.214442D-02-0.124949D-03 0.103983D-02 4 0.000000D+00 0.194700D-01 0.251041D-02 0.653809D-03 0.304755D-02 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.000000D+00 0.614289D+01 0.000000D+00 0.000000D+00 0.000000D+00 7 0.340554D-01 0.215555D+00 0.356843D-01 0.131036D-02 0.299197D-03 8 0.530818D-01 0.000000D+00-0.110064D-01 0.103983D-02 0.635621D-03 9-0.194700D-01 0.000000D+00 0.581696D-01 0.304755D-02 0.549626D-03 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00 0.000000D+00 12 0.134744D-02 0.356843D-01 0.215555D+00 0.339467D-01 0.146098D-02 13 0.214442D-02 0.110064D-01 0.000000D+00 0.418412D-01 0.348464D-02 14-0.251041D-02-0.581696D-01 0.000000D+00 0.377641D-01 0.675984D-03 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00 17 0.232388D-03 0.131036D-02 0.339467D-01 0.215555D+00 0.340554D-01 18 0.124949D-03-0.103983D-02-0.418412D-01 0.000000D+00 0.530818D-01 19-0.653809D-03-0.304755D-02-0.377641D-01 0.000000D+00-0.194700D-01 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 22 0.131036D-02 0.299197D-03 0.146098D-02 0.340554D-01 0.215555D+00 23-0.103983D-02-0.635621D-03-0.348464D-02-0.530818D-01 0.000000D+00 24-0.304755D-02-0.549626D-03-0.675984D-03 0.194700D-01 0.000000D+00 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.470057D-02 0.586548D-01 0.497076D-02 0.638353D-04 0.817050D-05 27 0.645491D-04 0.492448D-02 0.585060D-01 0.477703D-02 0.689322D-04 28 0.638353D-04 0.817050D-05 0.677342D-04 0.470057D-02 0.586548D-01 29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 30 0.000000D+00 0.151842D-05 0.105097D-02 0.281283D-01 0.868373D-03 31 0.000000D+00 0.000000D+00-0.756778D-03 0.105060D-01 0.144553D-02 32 0.000000D+00-0.574194D-05-0.253016D-02-0.458845D-01-0.168876D-02 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.000000D+00 0.183543D-05 0.965191D-03 0.884461D-04 36 0.000000D+00 0.000000D+00-0.292034D-05-0.519017D-03 0.701701D-04 37 0.000000D+00 0.000000D+00-0.628945D-05-0.239002D-02-0.262166D-03 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.000000D+00 0.000000D+00 0.163628D-05 0.640147D-03 0.653094D-03 40 0.000000D+00 0.406743D-05 0.118252D-02 0.457749D-02 0.517079D-04 41 0.000000D+00 0.000000D+00 0.000000D+00 0.458639D-04 0.232364D-05 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.281283D-01 0.868373D-03 0.128636D-05 0.000000D+00 0.151842D-05 44-0.105060D-01-0.144553D-02-0.247565D-05 0.000000D+00 0.000000D+00 45 0.458845D-01 0.168876D-02 0.426938D-05 0.000000D+00 0.574194D-05 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.457749D-02 0.517079D-04 0.000000D+00 0.000000D+00 0.406743D-05 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.965191D-03 0.884461D-04 0.000000D+00 0.000000D+00 0.000000D+00 50 0.519017D-03-0.701701D-04 0.000000D+00 0.000000D+00 0.000000D+00 51 0.239002D-02 0.262166D-03 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.640147D-03 0.653094D-03 0.201335D-05 0.000000D+00 0.000000D+00 54 0.458639D-04 0.232364D-05 0.000000D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 56 0.339467D-01 0.146098D-02 0.314525D-03 0.134744D-02 0.356843D-01 57-0.418412D-01-0.348464D-02-0.831776D-03-0.214442D-02-0.110064D-01 58-0.377641D-01-0.675984D-03 0.286808D-03 0.251041D-02 0.581696D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.477703D-02 0.689322D-04 0.856840D-05 0.645491D-04 0.492448D-02 6 7 8 9 10 1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 2 0.365540D-02 0.129396D-04 0.127516D-04 0.000000D+00 0.000000D+00 3-0.794270D-02-0.340046D-04 0.207983D-04 0.000000D+00 0.000000D+00 4-0.794698D-03 0.286991D-04 0.386424D-04 0.000000D+00 0.000000D+00 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 7 0.733850D-01 0.388566D-02 0.000000D+00 0.151842D-05 0.000000D+00 8-0.971351D-01-0.505032D-02 0.252241D-05 0.000000D+00 0.000000D+00 9-0.817743D-01 0.673572D-02 0.216485D-05 0.574194D-05 0.000000D+00 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 12 0.393366D-02 0.732092D-01 0.137867D-04 0.105097D-02 0.183543D-05 13-0.227721D-02-0.119803D+00 0.444223D-04 0.756778D-03 0.292034D-05 14-0.819884D-02 0.410516D-01 0.160995D-04 0.253016D-02 0.628945D-05 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 17 0.127516D-04 0.373366D-02 0.365540D-02 0.281283D-01 0.965191D-03 18-0.207983D-04-0.782002D-02 0.794270D-02-0.105060D-01 0.519017D-03 19-0.386424D-04-0.222782D-02 0.794698D-03 0.458845D-01 0.239002D-02 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 22 0.000000D+00 0.141086D-04 0.733850D-01 0.868373D-03 0.884461D-04 23-0.252241D-05-0.482697D-04 0.971351D-01-0.144553D-02-0.701701D-04 24-0.216485D-05-0.151349D-05 0.817743D-01 0.168876D-02 0.262166D-03 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.628247D+00 0.202317D-02 0.000000D+00 0.000000D+00 0.000000D+00 27 0.202317D-02 0.628247D+00 0.000000D+00 0.100372D-02 0.418796D-05 28 0.000000D+00 0.000000D+00 0.628247D+00 0.741214D-03 0.756512D-03 29 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00 30 0.000000D+00 0.479467D-03 0.321682D-03 0.215555D+00 0.410850D-01 31 0.000000D+00-0.842362D-03 0.804907D-03 0.000000D+00 0.443157D-01 32 0.000000D+00-0.983809D-03-0.398679D-03 0.000000D+00 0.518684D-01 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 35 0.000000D+00 0.000000D+00 0.330450D-03 0.410850D-01 0.215555D+00 36 0.000000D+00 0.000000D+00 0.538982D-03-0.443157D-01 0.000000D+00 37 0.000000D+00-0.108508D-05-0.746473D-03-0.518684D-01 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.000000D+00 0.000000D+00 0.470273D-02 0.522728D-02 0.588881D-01 40 0.000000D+00 0.276701D-02 0.984638D-05 0.582581D-01 0.571394D-02 41 0.000000D+00 0.000000D+00 0.108480D-04 0.542436D-02 0.588540D-01 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.321682D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 44-0.804907D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 45 0.398679D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.984638D-05 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.330450D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 50-0.538982D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 51 0.746473D-03 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.470273D-02 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 54 0.108480D-04 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 56 0.137867D-04 0.000000D+00 0.393366D-02 0.128636D-05 0.000000D+00 57-0.444223D-04-0.333745D-05 0.227721D-02-0.247565D-05 0.000000D+00 58-0.160995D-04 0.114878D-05 0.819884D-02 0.426938D-05 0.000000D+00 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.000000D+00 0.000000D+00 0.202317D-02 0.000000D+00 0.000000D+00 11 12 13 14 15 1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 2 0.000000D+00 0.000000D+00 0.000000D+00 0.281283D-01 0.353022D-02 3 0.000000D+00 0.000000D+00 0.000000D+00 0.105060D-01 0.498311D-02 4 0.000000D+00 0.000000D+00 0.000000D+00-0.458845D-01-0.592685D-02 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 7 0.000000D+00 0.000000D+00 0.000000D+00 0.868373D-03 0.966281D-05 8 0.000000D+00 0.000000D+00 0.000000D+00 0.144553D-02 0.264768D-04 9 0.000000D+00 0.136022D-05 0.000000D+00-0.168876D-02-0.209114D-04 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 12 0.000000D+00 0.594947D-03 0.000000D+00 0.128636D-05 0.000000D+00 13 0.000000D+00-0.211582D-03 0.000000D+00 0.247565D-05 0.000000D+00 14 0.000000D+00 0.156280D-02 0.000000D+00-0.426938D-05 0.000000D+00 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 17 0.265227D-03 0.353022D-02 0.825155D-05 0.000000D+00 0.000000D+00 18 0.429871D-03-0.498311D-02 0.160892D-05 0.000000D+00 0.000000D+00 19 0.617012D-03 0.592685D-02 0.289996D-04 0.000000D+00 0.000000D+00 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 22 0.272311D-03 0.966281D-05 0.000000D+00 0.151842D-05 0.000000D+00 23 0.788941D-04-0.264768D-04 0.000000D+00 0.000000D+00 0.000000D+00 24 0.766440D-03 0.209114D-04 0.000000D+00-0.574194D-05-0.136022D-05 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.000000D+00 0.000000D+00 0.000000D+00 0.741214D-03 0.984638D-05 27 0.000000D+00 0.276701D-02 0.000000D+00 0.000000D+00 0.000000D+00 28 0.470273D-02 0.984638D-05 0.108480D-04 0.000000D+00 0.000000D+00 29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 30 0.420214D-02 0.729161D-01 0.441117D-02 0.000000D+00 0.000000D+00 31 0.823290D-02-0.123539D+00 0.233762D-02 0.000000D+00 0.000000D+00 32 0.366527D-02 0.252183D-01 0.910440D-02 0.000000D+00 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.736604D-01 0.472243D-02 0.736201D-01 0.000000D+00 0.000000D+00 36 0.126295D+00-0.922320D-02-0.399271D-01 0.000000D+00 0.000000D+00 37-0.174420D-01-0.379039D-02 0.121001D+00 0.000000D+00 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.628247D+00 0.248155D-03 0.104761D-01 0.000000D+00 0.000000D+00 40 0.248155D-03 0.628247D+00 0.226539D-02 0.000000D+00 0.000000D+00 41 0.104761D-01 0.226539D-02 0.628247D+00 0.000000D+00 0.000000D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00 43 0.000000D+00 0.000000D+00 0.000000D+00 0.215555D+00 0.729161D-01 44 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.123539D+00 45 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00-0.252183D-01 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.000000D+00 0.000000D+00 0.000000D+00 0.582581D-01 0.628247D+00 48 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.000000D+00 0.000000D+00 0.000000D+00 0.410850D-01 0.472243D-02 50 0.000000D+00 0.000000D+00 0.000000D+00 0.443157D-01 0.922320D-02 51 0.000000D+00 0.000000D+00 0.000000D+00 0.518684D-01 0.379039D-02 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.000000D+00 0.000000D+00 0.000000D+00 0.522728D-02 0.248155D-03 54 0.000000D+00 0.000000D+00 0.000000D+00 0.542436D-02 0.226539D-02 55 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 56 0.000000D+00 0.000000D+00 0.000000D+00 0.105097D-02 0.594947D-03 57 0.000000D+00 0.000000D+00 0.000000D+00-0.756778D-03 0.211582D-03 58 0.000000D+00 0.000000D+00 0.000000D+00-0.253016D-02-0.156280D-02 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.000000D+00 0.000000D+00 0.000000D+00 0.100372D-02 0.276701D-02 16 17 18 19 20 1 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 2 0.965191D-03 0.265227D-03 0.825155D-05 0.339467D-01 0.373366D-02 3-0.519017D-03-0.429871D-03-0.160892D-05 0.418412D-01 0.782002D-02 4-0.239002D-02-0.617012D-03-0.289996D-04 0.377641D-01 0.222782D-02 5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 7 0.884461D-04 0.272311D-03 0.000000D+00 0.146098D-02 0.141086D-04 8 0.701701D-04-0.788941D-04 0.000000D+00 0.348464D-02 0.482697D-04 9-0.262166D-03-0.766440D-03 0.000000D+00 0.675984D-03 0.151349D-05 10 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 11 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 12 0.000000D+00 0.000000D+00 0.000000D+00 0.314525D-03 0.000000D+00 13 0.000000D+00 0.000000D+00 0.000000D+00 0.831776D-03 0.333745D-05 14 0.000000D+00 0.000000D+00 0.000000D+00-0.286808D-03-0.114878D-05 15 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 16 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 17 0.000000D+00 0.000000D+00 0.000000D+00 0.134744D-02 0.129396D-04 18 0.000000D+00 0.000000D+00 0.000000D+00 0.214442D-02 0.340046D-04 19 0.000000D+00 0.000000D+00 0.000000D+00-0.251041D-02-0.286991D-04 20 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 21 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 22 0.000000D+00 0.000000D+00 0.000000D+00 0.356843D-01 0.388566D-02 23 0.000000D+00 0.000000D+00 0.000000D+00 0.110064D-01 0.505032D-02 24 0.000000D+00 0.000000D+00 0.000000D+00-0.581696D-01-0.673572D-02 25 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 26 0.756512D-03 0.470273D-02 0.108480D-04 0.677342D-04 0.000000D+00 27 0.000000D+00 0.000000D+00 0.000000D+00 0.856840D-05 0.000000D+00 28 0.000000D+00 0.000000D+00 0.000000D+00 0.497076D-02 0.202317D-02 29 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 30 0.000000D+00 0.000000D+00 0.000000D+00 0.128636D-05 0.000000D+00 31 0.000000D+00 0.000000D+00 0.000000D+00 0.247565D-05 0.000000D+00 32 0.000000D+00 0.000000D+00 0.000000D+00-0.426938D-05 0.000000D+00 33 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 34 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 35 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 36 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 37 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 38 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 39 0.000000D+00 0.000000D+00 0.000000D+00 0.201335D-05 0.000000D+00 40 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 41 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 42 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 43 0.410850D-01 0.420214D-02 0.441117D-02 0.105097D-02 0.479467D-03 44-0.443157D-01-0.823290D-02-0.233762D-02 0.756778D-03 0.842362D-03 45-0.518684D-01-0.366527D-02-0.910440D-02 0.253016D-02 0.983809D-03 46 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 47 0.571394D-02 0.248155D-03 0.226539D-02 0.118252D-02 0.276701D-02 48 0.614289D+01 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 49 0.215555D+00 0.736604D-01 0.736201D-01 0.183543D-05 0.000000D+00 50 0.000000D+00-0.126295D+00 0.399271D-01 0.292034D-05 0.000000D+00 51 0.000000D+00 0.174420D-01-0.121001D+00 0.628945D-05 0.108508D-05 52 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 53 0.588881D-01 0.628247D+00 0.104761D-01 0.163628D-05 0.000000D+00 54 0.588540D-01 0.104761D-01 0.628247D+00 0.000000D+00 0.000000D+00 55 0.000000D+00 0.000000D+00 0.000000D+00 0.614289D+01 0.000000D+00 56 0.183543D-05 0.000000D+00 0.000000D+00 0.215555D+00 0.732092D-01 57-0.292034D-05 0.000000D+00 0.000000D+00 0.000000D+00 0.119803D+00 58-0.628945D-05 0.000000D+00 0.000000D+00 0.000000D+00-0.410516D-01 59 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 60 0.418796D-05 0.000000D+00 0.000000D+00 0.585060D-01 0.628247D+00 Leave Link 303 at Tue Jun 08 16:54:35 2004, MaxMem= 13107200 cpu: 0.0 (Enter C:\Gaussian\l401.exe) Initial guess read from the checkpoint file: PhCCCC.chk Guess basis will be translated and rotated to current coordinates. Initial guess orbital symmetries: Occupied (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (AG) (BU) (BU) (BU) (AG) (BU) (BU) (AG) (AU) (BU) (AG) (AG) (BG) (AU) (BG) (BG) Virtual (AU) (AU) (BG) (AU) (BG) (AG) (BU) (BU) (AG) (AG) (BU) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (BU) The electronic state of the initial guess is 1-AG. Leave Link 401 at Tue Jun 08 16:54:38 2004, MaxMem= 13107200 cpu: 1.0 (Enter C:\Gaussian\l502.exe) Warning! Cutoffs for single-point calculations used. Closed shell SCF: Requested convergence on RMS density matrix=1.00D-04 within 128 cycles. Requested convergence on MAX density matrix=1.00D-02. Requested convergence on energy=5.00D-05. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. 165797 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 2382359. IEnd= 195350 IEndB= 195350 NGot= 13107200 MDV= 11256772 LenX= 11256772 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 1 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -382.308251148796 DIIS: error= 4.50D-06 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -382.308251148796 IErMin= 1 ErrMin= 4.50D-06 ErrMax= 4.50D-06 EMaxC= 1.00D-01 BMatC= 7.00D-10 BMatP= 7.00D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.191 Goal= None Shift= 0.000 RMSDP=8.84D-07 MaxDP=9.71D-06 OVMax= 1.25D-06 SCF Done: E(RB+HF-LYP) = -382.308251149 A.U. after 1 cycles Convg = 0.8843D-06 -V/T = 2.0172 S**2 = 0.0000 KE= 3.758473484030D+02 PE=-1.776414688450D+03 EE= 5.723597600827D+02 Leave Link 502 at Tue Jun 08 16:54:49 2004, MaxMem= 13107200 cpu: 10.0 (Enter C:\Gaussian\l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (AG) (BU) (BU) (BU) (AG) (BU) (BU) (AG) (AU) (BU) (AG) (AG) (BG) (AU) (BG) (BG) Virtual (AU) (AU) (BG) (AU) (BG) (AG) (BU) (BU) (AG) (AG) (BU) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (BU) The electronic state is 1-AG. Alpha occ. eigenvalues -- -10.02021 -10.02016 -10.00812 -10.00811 -10.00679 Alpha occ. eigenvalues -- -10.00678 -10.00605 -10.00591 -9.99233 -9.99233 Alpha occ. eigenvalues -- -0.80951 -0.75399 -0.71797 -0.69978 -0.66750 Alpha occ. eigenvalues -- -0.58869 -0.55892 -0.53166 -0.51017 -0.45745 Alpha occ. eigenvalues -- -0.43937 -0.41060 -0.39795 -0.39607 -0.37397 Alpha occ. eigenvalues -- -0.35115 -0.34730 -0.32450 -0.31125 -0.29278 Alpha occ. eigenvalues -- -0.28746 -0.26354 -0.21244 -0.19505 -0.15308 Alpha virt. eigenvalues -- 0.03742 0.09037 0.11061 0.18220 0.27253 Alpha virt. eigenvalues -- 0.33223 0.34072 0.37937 0.38146 0.41097 Alpha virt. eigenvalues -- 0.41195 0.42676 0.43964 0.45276 0.47826 Alpha virt. eigenvalues -- 0.52624 0.54582 0.57601 0.59944 0.62498 Alpha virt. eigenvalues -- 0.63971 0.68280 0.71724 0.77956 0.79458 Molecular Orbital Coefficients 1 2 3 4 5 (BU)--O (AG)--O (BU)--O (AG)--O (BU)--O EIGENVALUES -- -10.02021 -10.02016 -10.00812 -10.00811 -10.00679 1 1 C 1S 0.69929 0.69929 -0.02805 0.02825 0.02753 2 2S 0.03157 0.03136 0.00413 -0.00407 -0.00789 3 2PX -0.00005 0.00001 0.00078 -0.00077 0.00203 4 2PY 0.00091 0.00064 -0.00413 0.00410 -0.00284 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S -0.01915 -0.01941 0.00771 -0.01029 0.61289 7 2S -0.00771 -0.00688 0.00044 -0.00042 0.03035 8 2PX -0.00420 -0.00410 0.00013 -0.00021 0.00017 9 2PY 0.00123 0.00166 0.00008 -0.00002 0.00288 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S 0.01858 -0.01906 -0.00872 -0.01159 -0.33711 12 2S 0.00773 -0.00691 -0.00053 -0.00056 -0.02076 13 2PX 0.00346 -0.00324 -0.00013 -0.00019 -0.00119 14 2PY 0.00272 -0.00308 0.00000 -0.00007 0.00411 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S -0.69929 0.69929 0.02805 0.02825 -0.02753 17 2S -0.03157 0.03136 -0.00413 -0.00407 0.00789 18 2PX -0.00005 -0.00001 0.00078 0.00077 0.00203 19 2PY 0.00091 -0.00064 -0.00413 -0.00410 -0.00284 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S 0.01915 -0.01941 -0.00771 -0.01029 -0.61289 22 2S 0.00771 -0.00688 -0.00044 -0.00042 -0.03035 23 2PX -0.00420 0.00410 0.00013 0.00021 0.00017 24 2PY 0.00123 -0.00166 0.00008 0.00002 0.00288 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S 0.00033 0.00022 0.00006 -0.00006 -0.00564 27 7 H 1S -0.00033 0.00022 0.00008 0.00008 0.00321 28 8 H 1S -0.00033 0.00022 -0.00006 -0.00006 0.00564 29 9 C 1S 0.02744 -0.02781 0.69983 0.69974 -0.00995 30 2S 0.00673 -0.00679 0.03078 0.03077 -0.00056 31 2PX 0.00101 -0.00101 0.00072 0.00071 -0.00005 32 2PY -0.00395 0.00399 0.00109 0.00110 -0.00004 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S -0.00018 0.00019 -0.00811 -0.00810 0.00093 35 2S -0.00047 0.00048 -0.00761 -0.00761 0.00024 36 2PX -0.00001 0.00001 0.00296 0.00296 0.00000 37 2PY 0.00028 -0.00029 0.00352 0.00351 -0.00012 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.00015 -0.00014 0.00019 0.00019 -0.00016 40 12 H 1S -0.00033 0.00034 -0.00642 -0.00642 0.00014 41 13 H 1S 0.00003 -0.00003 0.00022 0.00022 0.00001 42 14 C 1S -0.02744 -0.02781 -0.69983 0.69974 0.00995 43 2S -0.00673 -0.00679 -0.03078 0.03077 0.00056 44 2PX 0.00101 0.00101 0.00072 -0.00071 -0.00005 45 2PY -0.00395 -0.00399 0.00109 -0.00110 -0.00004 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.00033 0.00034 0.00642 -0.00642 -0.00014 48 16 C 1S 0.00018 0.00019 0.00811 -0.00810 -0.00093 49 2S 0.00047 0.00048 0.00761 -0.00761 -0.00024 50 2PX -0.00001 -0.00001 0.00296 -0.00296 0.00000 51 2PY 0.00028 0.00029 0.00352 -0.00351 -0.00012 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S -0.00015 -0.00014 -0.00019 0.00019 0.00016 54 18 H 1S -0.00003 -0.00003 -0.00022 0.00022 -0.00001 55 19 C 1S -0.01858 -0.01906 0.00872 -0.01159 0.33711 56 2S -0.00773 -0.00691 0.00053 -0.00056 0.02076 57 2PX 0.00346 0.00324 -0.00013 0.00019 -0.00119 58 2PY 0.00272 0.00308 0.00000 0.00007 0.00411 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.00033 0.00022 -0.00008 0.00008 -0.00321 6 7 8 9 10 (AG)--O (BU)--O (AG)--O (BU)--O (AG)--O EIGENVALUES -- -10.00678 -10.00605 -10.00591 -9.99233 -9.99233 1 1 C 1S 0.00709 -0.00758 0.02837 -0.00018 0.00018 2 2S -0.00177 0.00229 -0.00732 -0.00016 0.00016 3 2PX 0.00519 0.00471 -0.00064 0.00002 -0.00002 4 2PY 0.00027 0.00185 -0.00316 0.00005 -0.00005 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S 0.59773 0.33847 0.36460 -0.00079 0.00085 7 2S 0.02973 0.00914 0.01043 0.00001 -0.00004 8 2PX -0.00005 0.00100 0.00075 0.00001 0.00000 9 2PY 0.00284 -0.00344 -0.00338 -0.00010 0.00009 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S -0.36431 0.61365 0.59789 0.00028 0.00058 12 2S -0.02165 0.02393 0.02285 0.00000 -0.00006 13 2PX -0.00112 0.00036 -0.00006 0.00000 -0.00002 14 2PY 0.00392 0.00164 0.00186 -0.00008 -0.00003 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S 0.00709 0.00758 0.02837 0.00018 0.00018 17 2S -0.00177 -0.00229 -0.00732 0.00016 0.00016 18 2PX -0.00519 0.00471 0.00064 0.00002 0.00002 19 2PY -0.00027 0.00185 0.00316 0.00005 0.00005 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S 0.59773 -0.33847 0.36460 0.00079 0.00085 22 2S 0.02973 -0.00914 0.01043 -0.00001 -0.00004 23 2PX 0.00005 0.00100 -0.00075 0.00001 0.00000 24 2PY -0.00284 -0.00344 0.00338 -0.00010 -0.00009 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S -0.00552 -0.00290 -0.00332 -0.00010 0.00010 27 7 H 1S 0.00338 -0.00544 -0.00546 -0.00001 -0.00002 28 8 H 1S -0.00552 0.00290 -0.00332 0.00010 0.00010 29 9 C 1S 0.00248 0.00366 0.01422 0.00900 0.00900 30 2S 0.00010 0.00021 0.00062 -0.00689 -0.00689 31 2PX 0.00011 0.00000 0.00000 -0.00300 -0.00300 32 2PY 0.00006 0.00003 0.00017 -0.00345 -0.00345 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S -0.00044 0.00009 -0.00108 0.70048 0.70048 35 2S -0.00010 -0.00005 -0.00028 0.03086 0.03086 36 2PX -0.00002 0.00005 0.00004 -0.00087 -0.00087 37 2PY 0.00004 0.00002 0.00017 -0.00095 -0.00094 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.00016 -0.00006 0.00007 -0.00636 -0.00636 40 12 H 1S -0.00005 -0.00006 -0.00022 0.00004 0.00004 41 13 H 1S -0.00001 0.00001 -0.00001 -0.00637 -0.00637 42 14 C 1S 0.00248 -0.00366 0.01422 -0.00900 0.00900 43 2S 0.00010 -0.00021 0.00062 0.00689 -0.00689 44 2PX -0.00011 0.00000 0.00000 -0.00300 0.00300 45 2PY -0.00006 0.00003 -0.00017 -0.00345 0.00345 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S -0.00005 0.00006 -0.00022 -0.00004 0.00004 48 16 C 1S -0.00044 -0.00009 -0.00108 -0.70048 0.70048 49 2S -0.00010 0.00005 -0.00028 -0.03086 0.03086 50 2PX 0.00002 0.00005 -0.00004 -0.00087 0.00087 51 2PY -0.00004 0.00002 -0.00017 -0.00095 0.00094 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00016 0.00006 0.00007 0.00636 -0.00636 54 18 H 1S -0.00001 -0.00001 -0.00001 0.00637 -0.00637 55 19 C 1S -0.36431 -0.61365 0.59789 -0.00028 0.00058 56 2S -0.02165 -0.02393 0.02285 0.00000 -0.00006 57 2PX 0.00112 0.00036 0.00006 0.00000 0.00002 58 2PY -0.00392 0.00164 -0.00186 -0.00008 0.00003 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.00338 0.00544 -0.00546 0.00001 -0.00002 11 12 13 14 15 (AG)--O (BU)--O (AG)--O (BU)--O (BU)--O EIGENVALUES -- -0.80951 -0.75399 -0.71797 -0.69978 -0.66750 1 1 C 1S -0.10783 0.10361 -0.00466 0.01219 -0.09967 2 2S 0.27463 -0.27389 0.01514 -0.03300 0.27406 3 2PX -0.00660 -0.00515 0.01293 -0.12432 -0.01875 4 2PY 0.04075 0.03273 -0.09591 -0.02550 0.05624 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S -0.09762 0.04290 0.04178 -0.12038 -0.07279 7 2S 0.24675 -0.11279 -0.10905 0.32471 0.20073 8 2PX 0.04510 -0.04581 -0.00090 -0.03614 0.05547 9 2PY 0.03262 0.04539 -0.04731 0.06492 -0.04569 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S -0.09787 -0.03892 0.04624 -0.13216 0.04128 12 2S 0.24701 0.10185 -0.12122 0.35666 -0.11409 13 2PX 0.05351 0.02586 -0.01693 -0.00275 -0.03555 14 2PY -0.01323 0.05977 0.03673 -0.05668 -0.09219 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S -0.10783 -0.10361 -0.00466 -0.01219 0.09967 17 2S 0.27463 0.27389 0.01514 0.03300 -0.27406 18 2PX 0.00660 -0.00515 -0.01293 -0.12432 -0.01875 19 2PY -0.04075 0.03273 0.09591 -0.02550 0.05624 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S -0.09762 -0.04290 0.04178 0.12038 0.07279 22 2S 0.24675 0.11279 -0.10905 -0.32471 -0.20073 23 2PX -0.04510 -0.04581 0.00090 -0.03614 0.05547 24 2PY -0.03262 0.04539 0.04731 0.06492 -0.04569 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S 0.04510 -0.03057 -0.01681 0.09019 0.05281 27 7 H 1S 0.04496 0.02683 -0.02326 0.09830 -0.03266 28 8 H 1S 0.04510 0.03057 -0.01681 -0.09019 -0.05281 29 9 C 1S -0.04969 -0.11384 -0.11930 -0.00054 -0.05164 30 2S 0.12776 0.29725 0.31496 0.00214 0.13686 31 2PX 0.01352 0.03425 0.04377 -0.02235 0.03612 32 2PY -0.02816 -0.00776 0.05841 -0.01865 0.12993 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S -0.02463 -0.08069 -0.11743 0.01405 -0.11036 35 2S 0.06258 0.20923 0.30968 -0.03672 0.29972 36 2PX -0.01190 -0.03609 -0.04781 -0.00185 -0.03409 37 2PY -0.02061 -0.05072 -0.05388 0.00614 -0.01717 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.01406 0.04847 0.07409 -0.01443 0.07750 40 12 H 1S 0.02566 0.06715 0.07661 0.01014 0.03743 41 13 H 1S 0.01058 0.04371 0.07488 -0.00864 0.09005 42 14 C 1S -0.04969 0.11384 -0.11930 0.00054 0.05164 43 2S 0.12776 -0.29725 0.31496 -0.00214 -0.13686 44 2PX -0.01352 0.03425 -0.04377 -0.02235 0.03612 45 2PY 0.02816 -0.00776 -0.05841 -0.01865 0.12993 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.02566 -0.06715 0.07661 -0.01014 -0.03743 48 16 C 1S -0.02463 0.08069 -0.11743 -0.01405 0.11036 49 2S 0.06258 -0.20923 0.30968 0.03672 -0.29972 50 2PX 0.01190 -0.03609 0.04781 -0.00185 -0.03409 51 2PY 0.02061 -0.05072 0.05388 0.00614 -0.01717 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.01406 -0.04847 0.07409 0.01443 -0.07750 54 18 H 1S 0.01058 -0.04371 0.07488 0.00864 -0.09005 55 19 C 1S -0.09787 0.03892 0.04624 0.13216 -0.04128 56 2S 0.24701 -0.10185 -0.12122 -0.35666 0.11409 57 2PX -0.05351 0.02586 0.01693 -0.00275 -0.03555 58 2PY 0.01323 0.05977 -0.03673 -0.05668 -0.09219 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.04496 -0.02683 -0.02326 -0.09830 0.03266 16 17 18 19 20 (AG)--O (AG)--O (BU)--O (AG)--O (AG)--O EIGENVALUES -- -0.58869 -0.55892 -0.53166 -0.51017 -0.45745 1 1 C 1S 0.07121 0.05404 -0.01327 -0.05454 -0.03232 2 2S -0.20696 -0.15995 0.03786 0.16209 0.10655 3 2PX -0.12155 0.18432 -0.05698 0.01646 0.05420 4 2PY 0.06961 0.06760 0.13407 0.14288 -0.13149 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S -0.08139 0.05794 -0.03038 0.05250 0.01947 7 2S 0.23221 -0.17207 0.09198 -0.16682 -0.05511 8 2PX -0.06637 -0.09055 0.03828 0.20119 -0.08217 9 2PY 0.02277 0.16795 -0.07709 0.04140 -0.13792 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S 0.00232 -0.11047 0.05070 0.00656 -0.01317 12 2S -0.00808 0.32616 -0.15452 -0.02417 0.05094 13 2PX -0.02621 -0.08283 -0.00528 0.18154 -0.14072 14 2PY -0.16033 0.03582 -0.00546 0.09315 0.13758 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S 0.07121 0.05404 0.01327 -0.05454 -0.03232 17 2S -0.20696 -0.15995 -0.03786 0.16209 0.10655 18 2PX 0.12155 -0.18432 -0.05698 -0.01646 -0.05420 19 2PY -0.06961 -0.06760 0.13407 -0.14288 0.13149 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S -0.08139 0.05794 0.03038 0.05250 0.01947 22 2S 0.23221 -0.17207 -0.09198 -0.16682 -0.05511 23 2PX 0.06637 0.09055 0.03828 -0.20119 0.08217 24 2PY -0.02277 -0.16795 -0.07709 -0.04140 0.13792 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S 0.10547 -0.08356 0.05477 -0.16970 0.09072 27 7 H 1S -0.01858 0.16971 -0.05023 -0.09822 0.13599 28 8 H 1S 0.10547 -0.08356 -0.05477 -0.16970 0.09072 29 9 C 1S 0.05303 0.00722 -0.09884 0.05919 0.04005 30 2S -0.15951 -0.02344 0.30261 -0.18090 -0.12728 31 2PX 0.07802 -0.04939 -0.11503 0.06453 0.11945 32 2PY 0.13195 0.07562 -0.04434 0.00000 -0.18186 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S -0.08417 -0.03712 0.08080 -0.05146 -0.01680 35 2S 0.24272 0.11130 -0.24928 0.16315 0.06310 36 2PX 0.03435 -0.01532 -0.12041 0.07725 0.21305 37 2PY 0.03959 0.04882 -0.09467 0.08368 -0.00369 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.10371 0.02209 -0.16035 0.09498 0.17903 40 12 H 1S -0.08016 0.03294 0.17059 -0.11258 -0.15271 41 13 H 1S 0.09840 0.06702 -0.12487 0.09695 -0.02172 42 14 C 1S 0.05303 0.00722 0.09884 0.05919 0.04005 43 2S -0.15951 -0.02344 -0.30261 -0.18090 -0.12728 44 2PX -0.07802 0.04939 -0.11503 -0.06453 -0.11945 45 2PY -0.13195 -0.07562 -0.04434 0.00000 0.18186 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S -0.08016 0.03294 -0.17059 -0.11258 -0.15271 48 16 C 1S -0.08417 -0.03712 -0.08080 -0.05146 -0.01680 49 2S 0.24272 0.11130 0.24928 0.16315 0.06310 50 2PX -0.03435 0.01532 -0.12041 -0.07725 -0.21305 51 2PY -0.03959 -0.04882 -0.09467 -0.08368 0.00369 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.10371 0.02209 0.16035 0.09498 0.17903 54 18 H 1S 0.09840 0.06702 0.12487 0.09695 -0.02172 55 19 C 1S 0.00232 -0.11047 -0.05070 0.00656 -0.01317 56 2S -0.00808 0.32616 0.15452 -0.02417 0.05094 57 2PX 0.02621 0.08283 -0.00528 -0.18154 0.14072 58 2PY 0.16033 -0.03582 -0.00546 -0.09315 -0.13758 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S -0.01858 0.16971 0.05023 -0.09822 0.13599 21 22 23 24 25 (BU)--O (BU)--O (BU)--O (AG)--O (BU)--O EIGENVALUES -- -0.43937 -0.41060 -0.39795 -0.39607 -0.37397 1 1 C 1S 0.02308 -0.06918 -0.02267 -0.02163 0.00324 2 2S -0.07909 0.23443 0.07704 0.07143 -0.01138 3 2PX 0.12231 0.10028 -0.22273 0.01570 -0.08374 4 2PY 0.13787 0.02875 0.13894 -0.00967 -0.08005 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S -0.04237 0.04411 -0.01173 -0.01836 -0.02011 7 2S 0.13820 -0.15326 0.03645 0.06839 0.06366 8 2PX -0.10014 0.10982 0.25210 -0.03397 0.18272 9 2PY 0.09908 0.18134 -0.04952 -0.13690 0.22927 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S 0.02223 -0.04765 0.00115 0.02533 -0.02854 12 2S -0.07484 0.16388 -0.00107 -0.08467 0.09090 13 2PX 0.02281 -0.21858 -0.00685 -0.00796 0.31217 14 2PY -0.18434 -0.06712 0.11880 0.08115 -0.13784 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S -0.02308 0.06918 0.02267 -0.02163 -0.00324 17 2S 0.07909 -0.23443 -0.07704 0.07143 0.01138 18 2PX 0.12231 0.10028 -0.22273 -0.01570 -0.08374 19 2PY 0.13787 0.02875 0.13894 0.00967 -0.08005 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S 0.04237 -0.04411 0.01173 -0.01836 0.02011 22 2S -0.13820 0.15326 -0.03645 0.06839 -0.06366 23 2PX -0.10014 0.10982 0.25210 0.03397 0.18272 24 2PY 0.09908 0.18134 -0.04952 0.13690 0.22927 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S 0.06114 -0.23127 -0.13352 0.11388 -0.21713 27 7 H 1S -0.10026 0.22534 0.03721 -0.00665 -0.25361 28 8 H 1S -0.06114 0.23127 0.13352 0.11388 0.21713 29 9 C 1S -0.01679 -0.01518 -0.00247 0.02763 -0.00184 30 2S 0.05128 0.04180 0.01457 -0.08051 0.00433 31 2PX 0.22207 0.03683 -0.03756 -0.25015 -0.01909 32 2PY -0.09514 0.12757 -0.18328 -0.08850 0.06470 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S 0.00805 0.01193 0.00102 0.00449 0.00427 35 2S -0.03107 -0.04986 0.00769 -0.00005 -0.01779 36 2PX 0.09535 -0.07360 0.25223 0.00371 -0.07663 37 2PY -0.20736 -0.13643 -0.03158 0.33906 0.00456 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.07235 -0.04343 0.21586 -0.02383 -0.05434 40 12 H 1S -0.15581 0.02642 0.01203 0.14578 0.01490 41 13 H 1S -0.17747 -0.10502 -0.08730 0.26202 0.01646 42 14 C 1S 0.01679 0.01518 0.00247 0.02763 0.00184 43 2S -0.05128 -0.04180 -0.01457 -0.08051 -0.00433 44 2PX 0.22207 0.03683 -0.03756 0.25015 -0.01909 45 2PY -0.09514 0.12757 -0.18328 0.08850 0.06470 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.15581 -0.02642 -0.01203 0.14578 -0.01490 48 16 C 1S -0.00805 -0.01193 -0.00102 0.00449 -0.00427 49 2S 0.03107 0.04986 -0.00769 -0.00005 0.01779 50 2PX 0.09535 -0.07360 0.25223 -0.00371 -0.07663 51 2PY -0.20736 -0.13643 -0.03158 -0.33906 0.00456 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S -0.07235 0.04343 -0.21586 -0.02383 0.05434 54 18 H 1S 0.17747 0.10502 0.08730 0.26202 -0.01646 55 19 C 1S -0.02223 0.04765 -0.00115 0.02533 0.02854 56 2S 0.07484 -0.16388 0.00107 -0.08467 -0.09090 57 2PX 0.02281 -0.21858 -0.00685 0.00796 0.31217 58 2PY -0.18434 -0.06712 0.11880 -0.08115 -0.13784 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.10026 -0.22534 -0.03721 -0.00665 0.25361 26 27 28 29 30 (BU)--O (AG)--O (AU)--O (BU)--O (AG)--O EIGENVALUES -- -0.35115 -0.34730 -0.32450 -0.31125 -0.29278 1 1 C 1S 0.00300 0.02516 0.00000 -0.01061 0.00358 2 2S -0.01104 -0.09056 0.00000 0.04610 -0.02343 3 2PX 0.16446 0.08733 0.00000 0.09746 0.11876 4 2PY 0.18106 0.00070 0.00000 -0.24017 0.27311 5 2PZ 0.00000 0.00000 0.33754 0.00000 0.00000 6 2 C 1S -0.00661 -0.00755 0.00000 0.01375 0.00857 7 2S 0.01851 0.02539 0.00000 -0.04722 -0.02358 8 2PX -0.07553 -0.06542 0.00000 -0.14318 -0.07066 9 2PY 0.19290 0.13954 0.00000 0.00586 -0.23751 10 2PZ 0.00000 0.00000 0.29724 0.00000 0.00000 11 3 C 1S 0.01733 0.00529 0.00000 -0.00707 -0.00227 12 2S -0.06273 -0.02690 0.00000 0.02192 0.00735 13 2PX -0.09595 0.13066 0.00000 0.06703 0.12219 14 2PY -0.22742 -0.13198 0.00000 -0.03983 0.28173 15 2PZ 0.00000 0.00000 0.29786 0.00000 0.00000 16 4 C 1S -0.00300 0.02516 0.00000 0.01061 0.00358 17 2S 0.01104 -0.09056 0.00000 -0.04610 -0.02343 18 2PX 0.16446 -0.08733 0.00000 0.09746 -0.11876 19 2PY 0.18106 -0.00070 0.00000 -0.24017 -0.27311 20 2PZ 0.00000 0.00000 0.33754 0.00000 0.00000 21 5 C 1S 0.00661 -0.00755 0.00000 -0.01375 0.00857 22 2S -0.01851 0.02539 0.00000 0.04722 -0.02358 23 2PX -0.07553 0.06542 0.00000 -0.14318 0.07066 24 2PY 0.19290 -0.13954 0.00000 0.00586 0.23751 25 2PZ 0.00000 0.00000 0.29724 0.00000 0.00000 26 6 H 1S -0.04720 0.00589 0.00000 0.05262 0.23776 27 7 H 1S -0.00670 -0.15580 0.00000 -0.04751 -0.01627 28 8 H 1S 0.04720 0.00589 0.00000 -0.05262 0.23776 29 9 C 1S 0.00121 -0.01704 0.00000 0.00255 0.01993 30 2S 0.01193 0.07182 0.00000 -0.00594 -0.08285 31 2PX -0.19696 -0.20569 0.00000 -0.22088 -0.05320 32 2PY -0.19101 -0.09304 0.00000 0.16449 0.24835 33 2PZ 0.00000 0.00000 0.17401 0.00000 0.00000 34 10 C 1S 0.02049 0.01045 0.00000 0.00343 -0.00829 35 2S -0.05652 -0.02680 0.00000 -0.01419 0.02120 36 2PX 0.11286 0.29666 0.00000 0.20244 -0.02022 37 2PY 0.24800 -0.04161 0.00000 -0.13283 -0.14653 38 2PZ 0.00000 0.00000 0.09247 0.00000 0.00000 39 11 H 1S 0.05113 0.26811 0.00000 0.23061 0.05571 40 12 H 1S 0.14606 0.19987 0.00000 0.25872 0.07062 41 13 H 1S 0.15729 -0.14372 0.00000 -0.21307 -0.13779 42 14 C 1S -0.00121 -0.01704 0.00000 -0.00255 0.01993 43 2S -0.01193 0.07182 0.00000 0.00594 -0.08285 44 2PX -0.19696 0.20569 0.00000 -0.22088 0.05320 45 2PY -0.19101 0.09304 0.00000 0.16449 -0.24835 46 2PZ 0.00000 0.00000 0.17401 0.00000 0.00000 47 15 H 1S -0.14606 0.19987 0.00000 -0.25872 0.07062 48 16 C 1S -0.02049 0.01045 0.00000 -0.00343 -0.00829 49 2S 0.05652 -0.02680 0.00000 0.01419 0.02120 50 2PX 0.11286 -0.29666 0.00000 0.20244 0.02022 51 2PY 0.24800 0.04161 0.00000 -0.13283 0.14653 52 2PZ 0.00000 0.00000 0.09247 0.00000 0.00000 53 17 H 1S -0.05113 0.26811 0.00000 -0.23061 0.05571 54 18 H 1S -0.15729 -0.14372 0.00000 0.21307 -0.13779 55 19 C 1S -0.01733 0.00529 0.00000 0.00707 -0.00227 56 2S 0.06273 -0.02690 0.00000 -0.02192 0.00735 57 2PX -0.09595 -0.13066 0.00000 0.06703 -0.12219 58 2PY -0.22742 0.13198 0.00000 -0.03983 -0.28173 59 2PZ 0.00000 0.00000 0.29786 0.00000 0.00000 60 20 H 1S 0.00670 -0.15580 0.00000 0.04751 -0.01627 31 32 33 34 35 (AG)--O (BG)--O (AU)--O (BG)--O (BG)--O EIGENVALUES -- -0.28746 -0.26354 -0.21244 -0.19505 -0.15308 1 1 C 1S -0.00709 0.00000 0.00000 0.00000 0.00000 2 2S 0.03415 0.00000 0.00000 0.00000 0.00000 3 2PX 0.30072 0.00000 0.00000 0.00000 0.00000 4 2PY -0.08232 0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 -0.34892 -0.01795 -0.00479 0.38758 6 2 C 1S 0.00798 0.00000 0.00000 0.00000 0.00000 7 2S -0.02303 0.00000 0.00000 0.00000 0.00000 8 2PX -0.28370 0.00000 0.00000 0.00000 0.00000 9 2PY 0.08594 0.00000 0.00000 0.00000 0.00000 10 2PZ 0.00000 -0.13284 -0.17673 0.45818 0.22874 11 3 C 1S -0.01196 0.00000 0.00000 0.00000 0.00000 12 2S 0.03539 0.00000 0.00000 0.00000 0.00000 13 2PX 0.22622 0.00000 0.00000 0.00000 0.00000 14 2PY -0.03849 0.00000 0.00000 0.00000 0.00000 15 2PZ 0.00000 0.13075 -0.17919 0.46309 -0.21705 16 4 C 1S -0.00709 0.00000 0.00000 0.00000 0.00000 17 2S 0.03415 0.00000 0.00000 0.00000 0.00000 18 2PX -0.30072 0.00000 0.00000 0.00000 0.00000 19 2PY 0.08232 0.00000 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.34892 -0.01795 0.00479 -0.38758 21 5 C 1S 0.00798 0.00000 0.00000 0.00000 0.00000 22 2S -0.02303 0.00000 0.00000 0.00000 0.00000 23 2PX 0.28370 0.00000 0.00000 0.00000 0.00000 24 2PY -0.08594 0.00000 0.00000 0.00000 0.00000 25 2PZ 0.00000 0.13284 -0.17673 -0.45818 -0.22874 26 6 H 1S 0.15613 0.00000 0.00000 0.00000 0.00000 27 7 H 1S -0.25907 0.00000 0.00000 0.00000 0.00000 28 8 H 1S 0.15613 0.00000 0.00000 0.00000 0.00000 29 9 C 1S -0.01073 0.00000 0.00000 0.00000 0.00000 30 2S 0.03684 0.00000 0.00000 0.00000 0.00000 31 2PX 0.13796 0.00000 0.00000 0.00000 0.00000 32 2PY -0.10452 0.00000 0.00000 0.00000 0.00000 33 2PZ 0.00000 0.37654 0.41379 0.00213 0.22363 34 10 C 1S -0.00480 0.00000 0.00000 0.00000 0.00000 35 2S 0.01871 0.00000 0.00000 0.00000 0.00000 36 2PX -0.10975 0.00000 0.00000 0.00000 0.00000 37 2PY 0.03240 0.00000 0.00000 0.00000 0.00000 38 2PZ 0.00000 0.27140 0.41789 -0.00747 0.39740 39 11 H 1S -0.11399 0.00000 0.00000 0.00000 0.00000 40 12 H 1S -0.18083 0.00000 0.00000 0.00000 0.00000 41 13 H 1S 0.08713 0.00000 0.00000 0.00000 0.00000 42 14 C 1S -0.01073 0.00000 0.00000 0.00000 0.00000 43 2S 0.03684 0.00000 0.00000 0.00000 0.00000 44 2PX -0.13796 0.00000 0.00000 0.00000 0.00000 45 2PY 0.10452 0.00000 0.00000 0.00000 0.00000 46 2PZ 0.00000 -0.37654 0.41379 -0.00213 -0.22363 47 15 H 1S -0.18083 0.00000 0.00000 0.00000 0.00000 48 16 C 1S -0.00480 0.00000 0.00000 0.00000 0.00000 49 2S 0.01871 0.00000 0.00000 0.00000 0.00000 50 2PX 0.10975 0.00000 0.00000 0.00000 0.00000 51 2PY -0.03240 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.00000 -0.27140 0.41789 0.00747 -0.39740 53 17 H 1S -0.11399 0.00000 0.00000 0.00000 0.00000 54 18 H 1S 0.08713 0.00000 0.00000 0.00000 0.00000 55 19 C 1S -0.01196 0.00000 0.00000 0.00000 0.00000 56 2S 0.03539 0.00000 0.00000 0.00000 0.00000 57 2PX -0.22622 0.00000 0.00000 0.00000 0.00000 58 2PY 0.03849 0.00000 0.00000 0.00000 0.00000 59 2PZ 0.00000 -0.13075 -0.17919 -0.46309 0.21705 60 20 H 1S -0.25907 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 (AU)--V (AU)--V (BG)--V (AU)--V (BG)--V EIGENVALUES -- 0.03742 0.09037 0.11061 0.18220 0.27253 1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 5 2PZ -0.44246 -0.03149 0.02315 -0.49756 0.54355 6 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 7 2S 0.00000 0.00000 0.00000 0.00000 0.00000 8 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 9 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 10 2PZ 0.27649 -0.55355 -0.23200 0.19986 -0.46726 11 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 12 2S 0.00000 0.00000 0.00000 0.00000 0.00000 13 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 2PZ 0.23298 0.58257 0.24055 0.16627 0.46417 16 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 17 2S 0.00000 0.00000 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 19 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 20 2PZ -0.44246 -0.03149 -0.02315 -0.49756 -0.54355 21 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 22 2S 0.00000 0.00000 0.00000 0.00000 0.00000 23 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 25 2PZ 0.27649 -0.55355 0.23200 0.19986 0.46726 26 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 27 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 28 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 29 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 30 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 32 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PZ -0.25635 0.00468 -0.52225 0.52901 0.28756 34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 2PZ 0.44994 0.00966 0.52319 -0.37941 -0.15589 39 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 41 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 42 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 43 2S 0.00000 0.00000 0.00000 0.00000 0.00000 44 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 45 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 46 2PZ -0.25635 0.00468 0.52225 0.52901 -0.28756 47 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 51 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.44994 0.00966 -0.52319 -0.37941 0.15589 53 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 59 2PZ 0.23298 0.58257 -0.24055 0.16627 -0.46417 60 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 (AG)--V (BU)--V (BU)--V (AG)--V (AG)--V EIGENVALUES -- 0.33223 0.34072 0.37937 0.38146 0.41097 1 1 C 1S 0.06827 -0.03447 -0.05772 0.02319 0.05127 2 2S -0.40191 0.20242 0.33490 -0.13985 -0.30965 3 2PX -0.09536 0.28741 -0.08767 -0.09886 0.25833 4 2PY 0.27004 -0.12958 -0.46264 -0.07847 0.16111 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S 0.04638 0.01586 0.00437 -0.02121 -0.10104 7 2S -0.28008 -0.09630 -0.01902 0.13518 0.61751 8 2PX 0.19925 0.28245 -0.26226 -0.17031 0.03922 9 2PY 0.12819 -0.00045 -0.32998 -0.21325 0.01500 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S 0.02803 -0.00630 -0.02501 -0.06446 0.07374 12 2S -0.17259 0.03079 0.15231 0.39369 -0.45110 13 2PX 0.30655 0.35557 -0.12901 -0.00678 0.04183 14 2PY -0.04475 -0.00118 -0.23398 0.12559 0.16178 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S 0.06827 0.03447 0.05772 0.02319 0.05127 17 2S -0.40191 -0.20242 -0.33490 -0.13985 -0.30965 18 2PX 0.09536 0.28741 -0.08767 0.09886 -0.25833 19 2PY -0.27004 -0.12958 -0.46264 0.07847 -0.16111 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S 0.04638 -0.01586 -0.00437 -0.02121 -0.10104 22 2S -0.28008 0.09630 0.01902 0.13518 0.61751 23 2PX -0.19925 0.28245 -0.26226 0.17031 -0.03922 24 2PY -0.12819 -0.00045 -0.32998 0.21325 -0.01500 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S 0.42296 0.26826 -0.41185 -0.30101 -0.22046 27 7 H 1S 0.41332 0.31973 -0.11868 -0.29377 0.22950 28 8 H 1S 0.42296 -0.26826 0.41185 -0.30101 -0.22046 29 9 C 1S -0.04918 0.00768 -0.09276 0.06354 -0.02403 30 2S 0.27727 -0.04711 0.54208 -0.38212 0.15317 31 2PX 0.25533 0.35047 0.06658 0.33538 -0.13667 32 2PY -0.33283 -0.21048 -0.33085 -0.06477 -0.23630 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S 0.03978 0.00254 0.04972 -0.02112 -0.10409 35 2S -0.23029 -0.01917 -0.29044 0.11824 0.65170 36 2PX 0.14535 0.30705 0.10579 0.31017 0.23120 37 2PY -0.14487 -0.16030 -0.13773 -0.22911 0.08511 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S -0.11367 -0.32400 -0.01421 -0.39463 -0.51132 40 12 H 1S 0.14921 0.43473 -0.15714 0.57566 -0.17168 41 13 H 1S 0.35652 0.28604 0.34675 0.24833 -0.32612 42 14 C 1S -0.04918 -0.00768 0.09276 0.06354 -0.02403 43 2S 0.27727 0.04711 -0.54208 -0.38212 0.15317 44 2PX -0.25533 0.35047 0.06658 -0.33538 0.13667 45 2PY 0.33283 -0.21048 -0.33085 0.06477 0.23630 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.14921 -0.43473 0.15714 0.57566 -0.17168 48 16 C 1S 0.03978 -0.00254 -0.04972 -0.02112 -0.10409 49 2S -0.23029 0.01917 0.29044 0.11824 0.65170 50 2PX -0.14535 0.30705 0.10579 -0.31017 -0.23120 51 2PY 0.14487 -0.16030 -0.13773 0.22911 -0.08511 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S -0.11367 0.32400 0.01421 -0.39463 -0.51132 54 18 H 1S 0.35652 -0.28604 -0.34675 0.24833 -0.32612 55 19 C 1S 0.02803 0.00630 0.02501 -0.06446 0.07374 56 2S -0.17259 -0.03079 -0.15231 0.39369 -0.45110 57 2PX -0.30655 0.35557 -0.12901 0.00678 -0.04183 58 2PY 0.04475 -0.00118 -0.23398 -0.12559 -0.16178 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.41332 -0.31973 0.11868 -0.29377 0.22950 46 47 48 49 50 (BU)--V (BU)--V (AG)--V (BU)--V (AG)--V EIGENVALUES -- 0.41195 0.42676 0.43964 0.45276 0.47826 1 1 C 1S 0.08151 0.01998 -0.12926 0.06172 0.03774 2 2S -0.47857 -0.12551 0.78437 -0.36693 -0.23580 3 2PX 0.11783 0.11889 -0.02333 -0.13862 -0.34746 4 2PY 0.01670 -0.24003 0.02826 -0.11230 -0.06057 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S -0.10160 -0.00554 0.06684 -0.06663 0.09702 7 2S 0.61439 0.02209 -0.41751 0.40846 -0.61526 8 2PX 0.00078 0.21241 -0.24044 -0.16484 0.14298 9 2PY -0.13623 -0.10477 0.24190 -0.14487 -0.17846 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S 0.07453 0.05757 0.07852 0.05890 -0.11210 12 2S -0.44314 -0.35712 -0.49023 -0.35667 0.70853 13 2PX 0.10392 0.32679 0.02149 -0.14074 0.09724 14 2PY 0.02049 -0.30619 -0.28104 -0.13324 -0.11145 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S -0.08151 -0.01998 -0.12926 -0.06172 0.03774 17 2S 0.47857 0.12551 0.78437 0.36693 -0.23580 18 2PX 0.11783 0.11889 0.02333 -0.13862 0.34746 19 2PY 0.01670 -0.24003 -0.02826 -0.11230 0.06057 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S 0.10160 0.00554 0.06684 0.06663 0.09702 22 2S -0.61439 -0.02209 -0.41751 -0.40846 -0.61526 23 2PX 0.00078 0.21241 0.24044 -0.16484 -0.14298 24 2PY -0.13623 -0.10477 -0.24190 -0.14487 0.17846 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S -0.35488 0.05219 0.19772 -0.47254 0.33070 27 7 H 1S 0.32929 0.59929 0.31503 0.08325 -0.22040 28 8 H 1S 0.35488 -0.05219 0.19772 0.47254 0.33070 29 9 C 1S 0.03970 -0.07275 0.09338 0.07114 -0.03097 30 2S -0.25063 0.45642 -0.56410 -0.43037 0.21611 31 2PX 0.15532 -0.22318 0.11374 0.06127 -0.03106 32 2PY 0.17728 -0.05915 0.09091 -0.11372 -0.07359 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S 0.08563 -0.02009 -0.06763 -0.11372 -0.06440 35 2S -0.53842 0.13469 0.41077 0.71185 0.41390 36 2PX -0.24714 -0.05614 -0.00295 0.14430 0.12340 37 2PY -0.13826 0.29727 0.04990 0.03189 0.38688 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.44839 0.04932 -0.21120 -0.52523 -0.29378 40 12 H 1S 0.20631 -0.44106 0.36816 0.29673 -0.07528 41 13 H 1S 0.31329 -0.33891 -0.25917 -0.32973 -0.47555 42 14 C 1S -0.03970 0.07275 0.09338 -0.07114 -0.03097 43 2S 0.25063 -0.45642 -0.56410 0.43037 0.21611 44 2PX 0.15532 -0.22318 -0.11374 0.06127 0.03106 45 2PY 0.17728 -0.05915 -0.09091 -0.11372 0.07359 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S -0.20631 0.44106 0.36816 -0.29673 -0.07528 48 16 C 1S -0.08563 0.02009 -0.06763 0.11372 -0.06440 49 2S 0.53842 -0.13469 0.41077 -0.71185 0.41390 50 2PX -0.24714 -0.05614 0.00295 0.14430 -0.12340 51 2PY -0.13826 0.29727 -0.04990 0.03189 -0.38688 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S -0.44839 -0.04932 -0.21120 0.52523 -0.29378 54 18 H 1S -0.31329 0.33891 -0.25917 0.32973 -0.47555 55 19 C 1S -0.07453 -0.05757 0.07852 -0.05890 -0.11210 56 2S 0.44314 0.35712 -0.49023 0.35667 0.70853 57 2PX 0.10392 0.32679 -0.02149 -0.14074 -0.09724 58 2PY 0.02049 -0.30619 0.28104 -0.13324 0.11145 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S -0.32929 -0.59929 0.31503 -0.08325 -0.22040 51 52 53 54 55 (AG)--V (BU)--V (AG)--V (BU)--V (BU)--V EIGENVALUES -- 0.52624 0.54582 0.57601 0.59944 0.62498 1 1 C 1S -0.06736 -0.00386 -0.00195 -0.05694 -0.09059 2 2S 0.44952 0.01570 0.01933 0.39370 0.61369 3 2PX -0.13890 0.56097 -0.20861 0.24845 -0.20673 4 2PY 0.59781 0.07822 0.05354 0.00094 -0.05972 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S 0.04928 -0.03565 0.00343 -0.08771 0.03292 7 2S -0.31938 0.24870 -0.02960 0.60288 -0.21685 8 2PX -0.31217 0.20135 -0.52292 -0.33721 -0.37655 9 2PY -0.02246 -0.47048 -0.40953 0.38798 0.18651 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S 0.01209 -0.09697 -0.00247 0.03733 0.00838 12 2S -0.07924 0.64990 0.02196 -0.25393 -0.07104 13 2PX -0.45893 -0.02153 0.53207 0.19111 0.24856 14 2PY -0.16363 0.11405 -0.19246 0.72603 0.10925 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S -0.06736 0.00386 -0.00195 0.05694 0.09059 17 2S 0.44952 -0.01570 0.01933 -0.39370 -0.61369 18 2PX 0.13890 0.56097 0.20861 0.24845 -0.20673 19 2PY -0.59781 0.07822 -0.05354 0.00094 -0.05972 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S 0.04928 0.03565 0.00343 0.08771 -0.03292 22 2S -0.31938 -0.24870 -0.02960 -0.60288 0.21685 23 2PX 0.31217 0.20135 0.52292 -0.33721 -0.37655 24 2PY 0.02246 -0.47048 0.40953 0.38798 0.18651 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S -0.04349 -0.20943 -0.51895 -0.25988 -0.00532 27 7 H 1S -0.26109 -0.30798 0.44773 0.07596 0.13965 28 8 H 1S -0.04349 0.20943 -0.51895 0.25988 0.00532 29 9 C 1S -0.07433 -0.02682 -0.05211 -0.06084 0.02220 30 2S 0.48588 0.19400 0.35615 0.41804 -0.17167 31 2PX -0.15426 0.26313 0.11316 -0.07434 0.32241 32 2PY 0.00270 0.05174 0.15662 0.07044 -0.47119 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S 0.01880 0.00873 0.04223 0.00739 -0.01842 35 2S -0.11657 -0.06783 -0.28705 -0.04640 0.13078 36 2PX 0.34631 -0.03265 0.08298 0.26988 -0.53066 37 2PY -0.11929 0.48205 0.26567 0.10689 0.22613 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S -0.23526 0.09701 0.13143 -0.21083 0.35967 40 12 H 1S -0.30524 0.14799 -0.09580 -0.24554 0.34713 41 13 H 1S 0.24818 -0.35582 -0.06110 0.01393 -0.33986 42 14 C 1S -0.07433 0.02682 -0.05211 0.06084 -0.02220 43 2S 0.48588 -0.19400 0.35615 -0.41804 0.17167 44 2PX 0.15426 0.26313 -0.11316 -0.07434 0.32241 45 2PY -0.00270 0.05174 -0.15662 0.07044 -0.47119 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S -0.30524 -0.14799 -0.09580 0.24554 -0.34713 48 16 C 1S 0.01880 -0.00873 0.04223 -0.00739 0.01842 49 2S -0.11657 0.06783 -0.28705 0.04640 -0.13078 50 2PX -0.34631 -0.03265 -0.08298 0.26988 -0.53066 51 2PY 0.11929 0.48205 -0.26567 0.10689 0.22613 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S -0.23526 -0.09701 0.13143 0.21083 -0.35967 54 18 H 1S 0.24818 0.35582 -0.06110 -0.01393 0.33986 55 19 C 1S 0.01209 0.09697 -0.00247 -0.03733 -0.00838 56 2S -0.07924 -0.64990 0.02196 0.25393 0.07104 57 2PX 0.45893 -0.02153 -0.53207 0.19111 0.24856 58 2PY 0.16363 0.11405 0.19246 0.72603 0.10925 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S -0.26109 0.30798 0.44773 -0.07596 -0.13965 56 57 58 59 60 (AG)--V (AG)--V (BU)--V (AG)--V (BU)--V EIGENVALUES -- 0.63971 0.68280 0.71724 0.77956 0.79458 1 1 C 1S 0.01516 -0.01609 0.02068 -0.00499 -0.04439 2 2S -0.09113 0.10260 -0.14579 0.03298 0.33032 3 2PX -0.12578 -0.12159 -0.44803 0.70028 -0.18652 4 2PY 0.36243 -0.38617 -0.15302 0.06588 0.65344 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 2 C 1S -0.03184 -0.01751 0.02014 -0.00708 0.05728 7 2S 0.21876 0.12666 -0.15067 0.04805 -0.41803 8 2PX -0.17876 0.01143 -0.04572 0.44642 -0.49193 9 2PY 0.29842 0.44881 0.21426 -0.40263 -0.40092 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 C 1S 0.02717 0.01919 0.04640 0.00708 -0.05136 12 2S -0.19069 -0.13832 -0.33544 -0.04897 0.37236 13 2PX -0.26350 0.10320 -0.19627 -0.22462 0.57178 14 2PY 0.37426 0.39777 -0.13243 -0.54156 -0.22721 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 C 1S 0.01516 -0.01609 -0.02068 -0.00499 0.04439 17 2S -0.09113 0.10260 0.14579 0.03298 -0.33032 18 2PX 0.12578 0.12159 -0.44803 -0.70028 -0.18652 19 2PY -0.36243 0.38617 -0.15302 -0.06588 0.65344 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 C 1S -0.03184 -0.01751 -0.02014 -0.00708 -0.05728 22 2S 0.21876 0.12666 0.15067 0.04805 0.41803 23 2PX 0.17876 -0.01143 -0.04572 -0.44642 -0.49193 24 2PY -0.29842 -0.44881 0.21426 0.40263 -0.40092 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 6 H 1S -0.05846 0.19146 0.10579 0.04174 -0.27559 27 7 H 1S -0.20953 0.04169 0.01820 -0.00660 0.26965 28 8 H 1S -0.05846 0.19146 -0.10579 0.04174 0.27559 29 9 C 1S -0.04091 -0.04174 -0.06140 -0.02707 0.01254 30 2S 0.28390 0.32733 0.46558 0.21537 -0.07684 31 2PX 0.55549 0.09673 0.59757 0.42108 -0.02554 32 2PY -0.15921 0.66511 0.47743 0.33065 0.36251 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S 0.03113 0.04917 0.07104 0.04148 0.01012 35 2S -0.22579 -0.36779 -0.53615 -0.32447 -0.08591 36 2PX -0.18405 0.57455 0.38019 0.24742 0.22013 37 2PY 0.53034 0.21534 0.55005 0.32488 0.01101 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.28852 -0.26163 -0.01133 -0.03400 -0.13564 40 12 H 1S 0.31757 -0.14468 0.17374 0.15836 -0.04549 41 13 H 1S -0.33197 0.11564 -0.09362 -0.04718 0.06418 42 14 C 1S -0.04091 -0.04174 0.06140 -0.02707 -0.01254 43 2S 0.28390 0.32733 -0.46558 0.21537 0.07684 44 2PX -0.55549 -0.09673 0.59757 -0.42108 -0.02554 45 2PY 0.15921 -0.66511 0.47743 -0.33065 0.36251 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.31757 -0.14468 -0.17374 0.15836 0.04549 48 16 C 1S 0.03113 0.04917 -0.07104 0.04148 -0.01012 49 2S -0.22579 -0.36779 0.53615 -0.32447 0.08591 50 2PX 0.18405 -0.57455 0.38019 -0.24742 0.22013 51 2PY -0.53034 -0.21534 0.55005 -0.32488 0.01101 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.28852 -0.26163 0.01133 -0.03400 0.13564 54 18 H 1S -0.33197 0.11564 0.09362 -0.04718 -0.06418 55 19 C 1S 0.02717 0.01919 -0.04640 0.00708 0.05136 56 2S -0.19069 -0.13832 0.33544 -0.04897 -0.37236 57 2PX 0.26350 -0.10320 -0.19627 0.22462 0.57178 58 2PY -0.37426 -0.39777 -0.13243 0.54156 -0.22721 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S -0.20953 0.04169 -0.01820 -0.00660 -0.26965 DENSITY MATRIX. 1 2 3 4 5 1 1 C 1S 2.06612 2 2S -0.20625 0.84204 3 2PX 0.00024 0.00344 0.60379 4 2PY 0.00123 -0.01897 0.00297 0.59675 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.77248 6 2 C 1S 0.02483 -0.06531 0.10700 -0.03585 0.00000 7 2S -0.06586 0.09146 -0.27432 0.08824 0.00000 8 2PX -0.10542 0.27056 -0.41515 0.14640 0.00000 9 2PY 0.03972 -0.09755 0.15924 -0.02716 0.00000 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.47263 11 3 C 1S -0.00464 0.01440 -0.01575 0.01470 0.00000 12 2S 0.01408 -0.03459 0.05170 -0.05921 0.00000 13 2PX 0.01418 -0.05977 0.04943 -0.01720 0.00000 14 2PY -0.01974 0.06834 -0.05878 0.05541 0.00000 15 2PZ 0.00000 0.00000 0.00000 0.00000 -0.05641 16 4 C 1S -0.00417 0.01463 -0.00240 0.01231 0.00000 17 2S 0.01463 -0.05098 0.00936 -0.04611 0.00000 18 2PX 0.00240 -0.00936 -0.05463 -0.01825 0.00000 19 2PY -0.01231 0.04611 -0.01825 0.03887 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.31546 21 5 C 1S -0.00452 0.01385 0.00909 0.01994 0.00000 22 2S 0.01361 -0.03275 -0.02568 -0.07528 0.00000 23 2PX -0.00621 0.03145 0.02495 0.00614 0.00000 24 2PY -0.02309 0.08311 0.04621 0.08345 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 -0.05862 26 6 H 1S 0.02611 -0.09740 0.13046 0.01282 0.00000 27 7 H 1S -0.01839 0.07075 -0.09237 0.03458 0.00000 28 8 H 1S -0.01818 0.07032 0.07294 0.06703 0.00000 29 9 C 1S 0.00006 -0.00003 -0.00053 -0.00079 0.00000 30 2S 0.00061 -0.00286 0.00260 -0.00030 0.00000 31 2PX -0.00155 0.00664 -0.00382 0.00405 0.00000 32 2PY 0.00198 -0.00795 0.00232 -0.00784 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.01319 34 10 C 1S -0.00033 0.00132 0.00053 0.00122 0.00000 35 2S 0.00117 -0.00456 -0.00224 -0.00463 0.00000 36 2PX 0.00173 -0.00733 -0.00687 -0.00601 0.00000 37 2PY -0.00066 0.00339 -0.00101 0.00179 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.16614 39 11 H 1S 0.00117 -0.00589 0.00011 -0.00204 0.00000 40 12 H 1S 0.00114 -0.00586 -0.00575 -0.00356 0.00000 41 13 H 1S -0.00160 0.00700 0.00064 0.00517 0.00000 42 14 C 1S 0.02164 -0.05943 -0.02200 0.10336 0.00000 43 2S -0.05965 0.10020 0.05598 -0.28575 0.00000 44 2PX 0.02956 -0.09735 -0.01465 0.13064 0.00000 45 2PY -0.10262 0.28322 0.09219 -0.44260 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.19205 47 15 H 1S 0.02879 -0.11603 -0.07322 0.11242 0.00000 48 16 C 1S -0.00479 0.01567 -0.00525 -0.02211 0.00000 49 2S 0.01305 -0.03692 0.02830 0.07056 0.00000 50 2PX 0.00090 0.00594 0.00978 0.02528 0.00000 51 2PY 0.02233 -0.08940 0.00366 0.09441 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 -0.07130 53 17 H 1S 0.01455 -0.06104 -0.00421 0.07095 0.00000 54 18 H 1S -0.02182 0.09015 0.01181 -0.10958 0.00000 55 19 C 1S 0.02460 -0.06495 -0.08536 -0.07463 0.00000 56 2S -0.06518 0.09098 0.22020 0.19054 0.00000 57 2PX 0.08368 -0.21940 -0.25668 -0.24015 0.00000 58 2PY 0.07476 -0.18705 -0.24796 -0.19116 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.47144 60 20 H 1S 0.02677 -0.10085 -0.12696 -0.03785 0.00000 6 7 8 9 10 6 2 C 1S 2.06661 7 2S -0.20410 0.82629 8 2PX 0.00389 -0.01948 0.61200 9 2PY 0.00340 -0.02027 0.01288 0.60817 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897 11 3 C 1S 0.02549 -0.06674 0.01855 -0.11407 0.00000 12 2S -0.06662 0.08881 -0.03810 0.29068 0.00000 13 2PX -0.02430 0.07040 0.00415 0.08827 0.00000 14 2PY 0.11337 -0.28637 0.08763 -0.44604 0.00000 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.53073 16 4 C 1S -0.00452 0.01361 0.00621 0.02309 0.00000 17 2S 0.01385 -0.03275 -0.03145 -0.08311 0.00000 18 2PX -0.00909 0.02568 0.02495 0.04621 0.00000 19 2PY -0.01994 0.07528 0.00614 0.08345 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.05862 21 5 C 1S -0.00416 0.01422 0.00911 0.00759 0.00000 22 2S 0.01422 -0.04779 -0.03407 -0.02720 0.00000 23 2PX -0.00911 0.03407 0.00081 0.04341 0.00000 24 2PY -0.00759 0.02720 0.04341 -0.01101 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 -0.32061 26 6 H 1S -0.11396 0.28739 -0.42000 -0.35350 0.00000 27 7 H 1S 0.02837 -0.10462 0.07732 -0.09802 0.00000 28 8 H 1S -0.00219 0.00732 0.00266 0.00659 0.00000 29 9 C 1S 0.00331 -0.01234 0.00253 -0.01637 0.00000 30 2S -0.01322 0.04649 -0.00992 0.06978 0.00000 31 2PX 0.00033 -0.00325 0.00359 0.00457 0.00000 32 2PY 0.01365 -0.05453 0.01157 -0.06816 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 -0.03860 34 10 C 1S -0.00135 0.00540 -0.00051 0.00621 0.00000 35 2S 0.00511 -0.01919 0.00079 -0.02486 0.00000 36 2PX -0.00304 0.01180 -0.00131 0.01647 0.00000 37 2PY -0.00484 0.02096 -0.00391 0.02175 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.01011 39 11 H 1S 0.00095 -0.00355 -0.00039 -0.00529 0.00000 40 12 H 1S -0.00227 0.00731 0.00591 0.00730 0.00000 41 13 H 1S -0.00361 0.01512 -0.00198 0.01819 0.00000 42 14 C 1S -0.00501 0.01670 0.01387 -0.01780 0.00000 43 2S 0.01703 -0.05116 -0.04723 0.07276 0.00000 44 2PX -0.01518 0.06240 0.04515 -0.02777 0.00000 45 2PY 0.01795 -0.06431 -0.06521 0.05874 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 -0.04703 47 15 H 1S -0.01704 0.06643 0.08052 -0.03554 0.00000 48 16 C 1S -0.00299 0.01025 0.00082 -0.00920 0.00000 49 2S 0.01003 -0.03455 -0.00501 0.03488 0.00000 50 2PX -0.00422 0.01561 -0.04003 -0.02415 0.00000 51 2PY 0.00783 -0.02972 -0.01022 0.02050 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 -0.19559 53 17 H 1S 0.00358 -0.01062 0.03139 0.00494 0.00000 54 18 H 1S -0.00273 0.01008 -0.01953 -0.01180 0.00000 55 19 C 1S -0.00516 0.01762 0.02420 0.00168 0.00000 56 2S 0.01755 -0.05051 -0.09259 -0.01331 0.00000 57 2PX -0.02263 0.08897 0.08944 -0.01051 0.00000 58 2PY -0.00749 0.02238 0.04320 0.01265 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.04990 60 20 H 1S -0.01800 0.06855 0.09085 -0.02749 0.00000 11 12 13 14 15 11 3 C 1S 2.06693 12 2S -0.20564 0.83248 13 2PX 0.00447 -0.02411 0.61636 14 2PY -0.00270 0.01625 -0.00785 0.60250 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897 16 4 C 1S 0.02460 -0.06518 -0.08368 -0.07476 0.00000 17 2S -0.06495 0.09098 0.21940 0.18705 0.00000 18 2PX 0.08536 -0.22020 -0.25668 -0.24796 0.00000 19 2PY 0.07463 -0.19054 -0.24015 -0.19116 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.47144 21 5 C 1S -0.00516 0.01755 0.02263 0.00749 0.00000 22 2S 0.01762 -0.05051 -0.08897 -0.02238 0.00000 23 2PX -0.02420 0.09259 0.08944 0.04320 0.00000 24 2PY -0.00168 0.01331 -0.01051 0.01265 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 -0.04990 26 6 H 1S 0.02820 -0.10406 0.03492 0.11958 0.00000 27 7 H 1S -0.11378 0.28759 -0.52061 0.17611 0.00000 28 8 H 1S -0.01816 0.06930 0.07517 0.06028 0.00000 29 9 C 1S -0.00597 0.02156 0.00372 0.02383 0.00000 30 2S 0.02311 -0.07648 -0.01213 -0.10142 0.00000 31 2PX -0.00932 0.04288 -0.01511 0.01023 0.00000 32 2PY -0.02230 0.08528 0.04963 0.08429 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 -0.04127 34 10 C 1S 0.00336 -0.01284 -0.00655 -0.01121 0.00000 35 2S -0.01205 0.04272 0.02362 0.04491 0.00000 36 2PX 0.00843 -0.03335 -0.01542 -0.03112 0.00000 37 2PY 0.01167 -0.04786 -0.02892 -0.03585 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 -0.20313 39 11 H 1S -0.00003 -0.00253 0.01176 0.00457 0.00000 40 12 H 1S 0.01391 -0.05311 -0.01756 -0.04165 0.00000 41 13 H 1S 0.00572 -0.02316 -0.02457 -0.02268 0.00000 42 14 C 1S 0.00297 -0.01082 -0.00373 0.01478 0.00000 43 2S -0.01129 0.03861 0.01593 -0.06059 0.00000 44 2PX 0.00587 -0.02524 -0.00217 0.02563 0.00000 45 2PY -0.01329 0.05171 0.01519 -0.06821 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 -0.04799 47 15 H 1S 0.00683 -0.02777 -0.00974 0.03092 0.00000 48 16 C 1S 0.00075 -0.00248 -0.00068 0.00275 0.00000 49 2S -0.00294 0.00954 0.00272 -0.01179 0.00000 50 2PX 0.00264 -0.01031 0.00051 0.01476 0.00000 51 2PY -0.00107 0.00287 0.00418 -0.00169 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.01378 53 17 H 1S 0.00063 -0.00202 0.00121 0.00719 0.00000 54 18 H 1S -0.00047 0.00277 -0.00009 -0.00398 0.00000 55 19 C 1S -0.00431 0.01484 0.01175 -0.00376 0.00000 56 2S 0.01484 -0.05021 -0.04382 0.01328 0.00000 57 2PX -0.01175 0.04382 0.02954 -0.02899 0.00000 58 2PY 0.00376 -0.01328 -0.02899 -0.04152 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.31564 60 20 H 1S -0.00247 0.00840 0.00605 -0.00577 0.00000 16 17 18 19 20 16 4 C 1S 2.06612 17 2S -0.20625 0.84204 18 2PX -0.00024 -0.00344 0.60379 19 2PY -0.00123 0.01897 0.00297 0.59675 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.77248 21 5 C 1S 0.02483 -0.06531 -0.10700 0.03585 0.00000 22 2S -0.06586 0.09146 0.27432 -0.08824 0.00000 23 2PX 0.10542 -0.27056 -0.41515 0.14640 0.00000 24 2PY -0.03972 0.09755 0.15924 -0.02716 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.47263 26 6 H 1S -0.01818 0.07032 -0.07294 -0.06703 0.00000 27 7 H 1S 0.02677 -0.10085 0.12696 0.03785 0.00000 28 8 H 1S 0.02611 -0.09740 -0.13046 -0.01282 0.00000 29 9 C 1S 0.02164 -0.05943 0.02200 -0.10336 0.00000 30 2S -0.05965 0.10020 -0.05598 0.28575 0.00000 31 2PX -0.02956 0.09735 -0.01465 0.13064 0.00000 32 2PY 0.10262 -0.28322 0.09219 -0.44260 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.19205 34 10 C 1S -0.00479 0.01567 0.00525 0.02211 0.00000 35 2S 0.01305 -0.03692 -0.02830 -0.07056 0.00000 36 2PX -0.00090 -0.00594 0.00978 0.02528 0.00000 37 2PY -0.02233 0.08940 0.00366 0.09441 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 -0.07130 39 11 H 1S 0.01455 -0.06104 0.00421 -0.07095 0.00000 40 12 H 1S 0.02879 -0.11603 0.07322 -0.11242 0.00000 41 13 H 1S -0.02182 0.09015 -0.01181 0.10958 0.00000 42 14 C 1S 0.00006 -0.00003 0.00053 0.00079 0.00000 43 2S 0.00061 -0.00286 -0.00260 0.00030 0.00000 44 2PX 0.00155 -0.00664 -0.00382 0.00405 0.00000 45 2PY -0.00198 0.00795 0.00232 -0.00784 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.01319 47 15 H 1S 0.00114 -0.00586 0.00575 0.00356 0.00000 48 16 C 1S -0.00033 0.00132 -0.00053 -0.00122 0.00000 49 2S 0.00117 -0.00456 0.00224 0.00463 0.00000 50 2PX -0.00173 0.00733 -0.00687 -0.00601 0.00000 51 2PY 0.00066 -0.00339 -0.00101 0.00179 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.16614 53 17 H 1S 0.00117 -0.00589 -0.00011 0.00204 0.00000 54 18 H 1S -0.00160 0.00700 -0.00064 -0.00517 0.00000 55 19 C 1S -0.00464 0.01440 0.01575 -0.01470 0.00000 56 2S 0.01408 -0.03459 -0.05170 0.05921 0.00000 57 2PX -0.01418 0.05977 0.04943 -0.01720 0.00000 58 2PY 0.01974 -0.06834 -0.05878 0.05541 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.05641 60 20 H 1S -0.01839 0.07075 0.09237 -0.03458 0.00000 21 22 23 24 25 21 5 C 1S 2.06661 22 2S -0.20410 0.82629 23 2PX -0.00389 0.01948 0.61200 24 2PY -0.00340 0.02027 0.01288 0.60817 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897 26 6 H 1S -0.00219 0.00732 -0.00266 -0.00659 0.00000 27 7 H 1S -0.01800 0.06855 -0.09085 0.02749 0.00000 28 8 H 1S -0.11396 0.28739 0.42000 0.35350 0.00000 29 9 C 1S -0.00501 0.01670 -0.01387 0.01780 0.00000 30 2S 0.01703 -0.05116 0.04723 -0.07276 0.00000 31 2PX 0.01518 -0.06240 0.04515 -0.02777 0.00000 32 2PY -0.01795 0.06431 -0.06521 0.05874 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 -0.04703 34 10 C 1S -0.00299 0.01025 -0.00082 0.00920 0.00000 35 2S 0.01003 -0.03455 0.00501 -0.03488 0.00000 36 2PX 0.00422 -0.01561 -0.04003 -0.02415 0.00000 37 2PY -0.00783 0.02972 -0.01022 0.02050 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 -0.19559 39 11 H 1S 0.00358 -0.01062 -0.03139 -0.00494 0.00000 40 12 H 1S -0.01704 0.06643 -0.08052 0.03554 0.00000 41 13 H 1S -0.00273 0.01008 0.01953 0.01180 0.00000 42 14 C 1S 0.00331 -0.01234 -0.00253 0.01637 0.00000 43 2S -0.01322 0.04649 0.00992 -0.06978 0.00000 44 2PX -0.00033 0.00325 0.00359 0.00457 0.00000 45 2PY -0.01365 0.05453 0.01157 -0.06816 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 -0.03860 47 15 H 1S -0.00227 0.00731 -0.00591 -0.00730 0.00000 48 16 C 1S -0.00135 0.00540 0.00051 -0.00621 0.00000 49 2S 0.00511 -0.01919 -0.00079 0.02486 0.00000 50 2PX 0.00304 -0.01180 -0.00131 0.01647 0.00000 51 2PY 0.00484 -0.02096 -0.00391 0.02175 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.01011 53 17 H 1S 0.00095 -0.00355 0.00039 0.00529 0.00000 54 18 H 1S -0.00361 0.01512 0.00198 -0.01819 0.00000 55 19 C 1S 0.02549 -0.06674 -0.01855 0.11407 0.00000 56 2S -0.06662 0.08881 0.03810 -0.29068 0.00000 57 2PX 0.02430 -0.07040 0.00415 0.08827 0.00000 58 2PY -0.11337 0.28637 0.08763 -0.44604 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.53073 60 20 H 1S 0.02837 -0.10462 -0.07732 0.09802 0.00000 26 27 28 29 30 26 6 H 1S 0.58699 27 7 H 1S -0.07495 0.58888 28 8 H 1S 0.01862 -0.04790 0.58699 29 9 C 1S 0.00604 0.01473 0.01133 2.06714 30 2S -0.02664 -0.05710 -0.04513 -0.20575 0.83168 31 2PX -0.00851 0.00622 -0.02626 0.00441 -0.03234 32 2PY 0.03343 0.05123 0.05039 -0.00018 -0.02393 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S -0.00327 -0.00267 0.00418 0.02888 -0.07417 35 2S 0.01322 0.00800 -0.01418 -0.07420 0.09248 36 2PX -0.00942 -0.00090 -0.02413 0.07703 -0.18099 37 2PY -0.01292 -0.01141 -0.01059 0.09607 -0.23508 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.00523 0.00327 0.00644 0.02435 -0.07786 40 12 H 1S -0.00665 0.01663 0.00765 -0.11140 0.27843 41 13 H 1S -0.01182 -0.00890 -0.00656 0.02887 -0.09567 42 14 C 1S 0.01133 0.00655 0.00604 0.00063 -0.00300 43 2S -0.04513 -0.02685 -0.02664 -0.00300 0.01369 44 2PX 0.02626 0.01222 0.00851 0.00023 -0.00136 45 2PY -0.05039 -0.03336 -0.03343 -0.00232 0.01137 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.00765 0.02470 -0.00665 0.00042 -0.00191 48 16 C 1S 0.00418 0.00016 -0.00327 0.00003 -0.00010 49 2S -0.01418 -0.00188 0.01322 -0.00013 0.00041 50 2PX 0.02413 -0.00586 0.00942 0.00105 -0.00477 51 2PY 0.01059 -0.00090 0.01292 0.00016 -0.00082 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00644 0.00776 0.00523 0.00005 -0.00008 54 18 H 1S -0.00656 -0.00662 -0.01182 -0.00001 0.00028 55 19 C 1S -0.01816 -0.00247 0.02820 0.00297 -0.01129 56 2S 0.06930 0.00840 -0.10406 -0.01082 0.03861 57 2PX -0.07517 -0.00605 -0.03492 0.00373 -0.01593 58 2PY -0.06028 0.00577 -0.11958 -0.01478 0.06059 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S -0.04790 0.01749 -0.07495 0.00655 -0.02685 31 32 33 34 35 31 2PX 0.62411 32 2PY 0.00225 0.59091 33 2PZ 0.00000 0.00000 0.78659 34 10 C 1S -0.08456 -0.08973 0.00000 2.06711 35 2S 0.21151 0.20487 0.00000 -0.20369 0.81914 36 2PX -0.17891 -0.23196 0.00000 -0.00336 0.02734 37 2PY -0.24412 -0.23489 0.00000 -0.00410 0.03476 38 2PZ 0.00000 0.00000 0.76011 0.00000 0.00000 39 11 H 1S -0.12055 -0.04115 0.00000 -0.11270 0.27994 40 12 H 1S -0.54491 0.11314 0.00000 0.02968 -0.10363 41 13 H 1S -0.02013 -0.10900 0.00000 -0.11373 0.28658 42 14 C 1S -0.00023 0.00232 0.00000 0.00003 -0.00013 43 2S 0.00136 -0.01137 0.00000 -0.00010 0.00041 44 2PX 0.00087 -0.00041 0.00000 -0.00003 0.00037 45 2PY -0.00041 -0.00719 0.00000 -0.00023 0.00091 46 2PZ 0.00000 0.00000 0.01942 0.00000 0.00000 47 15 H 1S 0.00102 0.00036 0.00000 -0.00023 0.00099 48 16 C 1S 0.00003 0.00023 0.00000 -0.00013 0.00053 49 2S -0.00037 -0.00091 0.00000 0.00053 -0.00216 50 2PX -0.00134 0.00526 0.00000 -0.00019 0.00075 51 2PY -0.00019 0.00065 0.00000 0.00030 -0.00137 52 2PZ 0.00000 0.00000 -0.00408 0.00000 0.00000 53 17 H 1S 0.00091 -0.00019 0.00000 0.00004 -0.00028 54 18 H 1S -0.00052 0.00083 0.00000 -0.00033 0.00138 55 19 C 1S -0.00587 0.01329 0.00000 0.00075 -0.00294 56 2S 0.02524 -0.05171 0.00000 -0.00248 0.00954 57 2PX -0.00217 0.01519 0.00000 0.00068 -0.00272 58 2PY 0.02563 -0.06821 0.00000 -0.00275 0.01179 59 2PZ 0.00000 0.00000 -0.04799 0.00000 0.00000 60 20 H 1S -0.01222 0.03336 0.00000 0.00016 -0.00188 36 37 38 39 40 36 2PX 0.62076 37 2PY -0.01138 0.61435 38 2PZ 0.00000 0.00000 0.82964 39 11 H 1S 0.54388 -0.09137 0.00000 0.58675 40 12 H 1S 0.11890 0.03978 0.00000 0.14046 0.59545 41 13 H 1S -0.18874 0.51646 0.00000 -0.15894 -0.09291 42 14 C 1S -0.00105 -0.00016 0.00000 0.00005 0.00042 43 2S 0.00477 0.00082 0.00000 -0.00008 -0.00191 44 2PX -0.00134 -0.00019 0.00000 -0.00091 -0.00102 45 2PY 0.00526 0.00065 0.00000 0.00019 -0.00036 46 2PZ 0.00000 0.00000 -0.00408 0.00000 0.00000 47 15 H 1S 0.00020 -0.00057 0.00000 -0.00015 0.00038 48 16 C 1S 0.00019 -0.00030 0.00000 0.00004 -0.00023 49 2S -0.00075 0.00137 0.00000 -0.00028 0.00099 50 2PX -0.00198 -0.00115 0.00000 0.00056 -0.00020 51 2PY -0.00115 0.00027 0.00000 0.00022 0.00057 52 2PZ 0.00000 0.00000 -0.09692 0.00000 0.00000 53 17 H 1S -0.00056 -0.00022 0.00000 -0.00038 -0.00015 54 18 H 1S 0.00104 -0.00066 0.00000 0.00037 -0.00024 55 19 C 1S -0.00264 0.00107 0.00000 0.00063 0.00683 56 2S 0.01031 -0.00287 0.00000 -0.00202 -0.02777 57 2PX 0.00051 0.00418 0.00000 -0.00121 0.00974 58 2PY 0.01476 -0.00169 0.00000 -0.00719 -0.03092 59 2PZ 0.00000 0.00000 0.01378 0.00000 0.00000 60 20 H 1S 0.00586 0.00090 0.00000 0.00776 0.02470 41 42 43 44 45 41 13 H 1S 0.58395 42 14 C 1S -0.00001 2.06714 43 2S 0.00028 -0.20575 0.83168 44 2PX 0.00052 -0.00441 0.03234 0.62411 45 2PY -0.00083 0.00018 0.02393 0.00225 0.59091 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S -0.00024 -0.11140 0.27843 0.54491 -0.11314 48 16 C 1S -0.00033 0.02888 -0.07417 0.08456 0.08973 49 2S 0.00138 -0.07420 0.09248 -0.21151 -0.20487 50 2PX -0.00104 -0.07703 0.18099 -0.17891 -0.23196 51 2PY 0.00066 -0.09607 0.23508 -0.24412 -0.23489 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00037 0.02435 -0.07786 0.12055 0.04115 54 18 H 1S -0.00118 0.02887 -0.09567 0.02013 0.10900 55 19 C 1S -0.00047 -0.00597 0.02311 0.00932 0.02230 56 2S 0.00277 0.02156 -0.07648 -0.04288 -0.08528 57 2PX 0.00009 -0.00372 0.01213 -0.01511 0.04963 58 2PY 0.00398 -0.02383 0.10142 0.01023 0.08429 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S -0.00662 0.01473 -0.05710 -0.00622 -0.05123 46 47 48 49 50 46 2PZ 0.78659 47 15 H 1S 0.00000 0.59545 48 16 C 1S 0.00000 0.02968 2.06711 49 2S 0.00000 -0.10363 -0.20369 0.81914 50 2PX 0.00000 -0.11890 0.00336 -0.02734 0.62076 51 2PY 0.00000 -0.03978 0.00410 -0.03476 -0.01138 52 2PZ 0.76011 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.14046 -0.11270 0.27994 -0.54388 54 18 H 1S 0.00000 -0.09291 -0.11373 0.28658 0.18874 55 19 C 1S 0.00000 0.01391 0.00336 -0.01205 -0.00843 56 2S 0.00000 -0.05311 -0.01284 0.04272 0.03335 57 2PX 0.00000 0.01756 0.00655 -0.02362 -0.01542 58 2PY 0.00000 0.04165 0.01121 -0.04491 -0.03112 59 2PZ -0.04127 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.00000 0.01663 -0.00267 0.00800 0.00090 51 52 53 54 55 51 2PY 0.61435 52 2PZ 0.00000 0.82964 53 17 H 1S 0.09137 0.00000 0.58675 54 18 H 1S -0.51646 0.00000 -0.15894 0.58395 55 19 C 1S -0.01167 0.00000 -0.00003 0.00572 2.06693 56 2S 0.04786 0.00000 -0.00253 -0.02316 -0.20564 57 2PX -0.02892 0.00000 -0.01176 0.02457 -0.00447 58 2PY -0.03585 0.00000 -0.00457 0.02268 0.00270 59 2PZ 0.00000 -0.20313 0.00000 0.00000 0.00000 60 20 H 1S 0.01141 0.00000 0.00327 -0.00890 -0.11378 56 57 58 59 60 56 2S 0.83248 57 2PX 0.02411 0.61636 58 2PY -0.01625 -0.00785 0.60250 59 2PZ 0.00000 0.00000 0.00000 0.79897 60 20 H 1S 0.28759 0.52061 -0.17611 0.00000 0.58888 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.06612 2 2S -0.05123 0.84204 3 2PX 0.00000 0.00000 0.60379 4 2PY 0.00000 0.00000 0.00000 0.59675 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.77248 6 2 C 1S 0.00000 -0.00233 -0.00594 -0.00073 0.00000 7 2S -0.00235 0.03239 0.09792 0.01155 0.00000 8 2PX -0.00585 0.09658 0.10954 0.02517 0.00000 9 2PY -0.00081 0.01277 0.02738 -0.00385 0.00000 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.09688 11 3 C 1S 0.00000 0.00002 0.00004 0.00004 0.00000 12 2S 0.00002 -0.00195 -0.00281 -0.00377 0.00000 13 2PX 0.00003 -0.00325 -0.00170 -0.00116 0.00000 14 2PY 0.00006 -0.00435 -0.00397 -0.00309 0.00000 15 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00132 16 4 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 17 2S 0.00000 -0.00111 -0.00006 -0.00161 0.00000 18 2PX 0.00000 -0.00006 -0.00033 -0.00021 0.00000 19 2PY 0.00001 -0.00161 -0.00021 -0.00201 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00260 21 5 C 1S 0.00000 0.00002 0.00001 0.00007 0.00000 22 2S 0.00002 -0.00182 -0.00068 -0.00588 0.00000 23 2PX 0.00001 -0.00084 0.00022 -0.00025 0.00000 24 2PY 0.00008 -0.00649 -0.00191 -0.00819 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00135 26 6 H 1S 0.00013 -0.00899 -0.01556 -0.00015 0.00000 27 7 H 1S 0.00000 0.00042 0.00070 0.00022 0.00000 28 8 H 1S 0.00000 0.00041 0.00034 0.00058 0.00000 29 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 30 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 32 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 41 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 42 14 C 1S 0.00000 -0.00176 -0.00024 -0.00497 0.00000 43 2S -0.00176 0.03183 0.00440 0.09807 0.00000 44 2PX -0.00033 0.00765 -0.00224 0.01415 0.00000 45 2PY -0.00493 0.09720 0.00999 0.13062 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.03418 47 15 H 1S 0.00014 -0.01051 -0.00556 -0.01015 0.00000 48 16 C 1S 0.00000 0.00002 0.00000 0.00006 0.00000 49 2S 0.00002 -0.00173 -0.00043 -0.00490 0.00000 50 2PX 0.00000 0.00009 0.00013 -0.00062 0.00000 51 2PY 0.00006 -0.00621 -0.00009 -0.00884 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00136 53 17 H 1S 0.00001 -0.00150 0.00009 -0.00214 0.00000 54 18 H 1S 0.00000 0.00043 -0.00001 0.00089 0.00000 55 19 C 1S 0.00000 -0.00231 -0.00374 -0.00295 0.00000 56 2S -0.00232 0.03216 0.06207 0.04848 0.00000 57 2PX -0.00366 0.06185 0.02267 0.06347 0.00000 58 2PY -0.00295 0.04759 0.06553 0.00651 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.09641 60 20 H 1S 0.00014 -0.00941 -0.01478 -0.00125 0.00000 6 7 8 9 10 6 2 C 1S 2.06661 7 2S -0.05069 0.82629 8 2PX 0.00000 0.00000 0.61200 9 2PY 0.00000 0.00000 0.00000 0.60817 10 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897 11 3 C 1S 0.00000 -0.00249 -0.00021 -0.00693 0.00000 12 2S -0.00249 0.03229 0.00274 0.11056 0.00000 13 2PX -0.00028 0.00507 0.00080 0.00871 0.00000 14 2PY -0.00689 0.10892 0.00864 0.13790 0.00000 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.11261 16 4 C 1S 0.00000 0.00002 0.00001 0.00008 0.00000 17 2S 0.00002 -0.00182 -0.00084 -0.00649 0.00000 18 2PX 0.00001 -0.00068 0.00022 -0.00191 0.00000 19 2PY 0.00007 -0.00588 -0.00025 -0.00819 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00135 21 5 C 1S 0.00000 0.00001 0.00001 0.00001 0.00000 22 2S 0.00001 -0.00119 -0.00103 -0.00071 0.00000 23 2PX 0.00001 -0.00103 -0.00002 -0.00150 0.00000 24 2PY 0.00001 -0.00071 -0.00150 0.00022 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00306 26 6 H 1S -0.00697 0.13978 0.14929 0.10578 0.00000 27 7 H 1S 0.00015 -0.00997 -0.00572 -0.00967 0.00000 28 8 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 29 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 30 2S 0.00000 0.00007 0.00000 0.00022 0.00000 31 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 32 2PY 0.00000 0.00017 -0.00001 0.00039 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 12 H 1S 0.00000 0.00001 0.00000 0.00002 0.00000 41 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 42 14 C 1S 0.00000 0.00002 0.00002 0.00003 0.00000 43 2S 0.00002 -0.00226 -0.00207 -0.00373 0.00000 44 2PX 0.00003 -0.00274 -0.00134 -0.00154 0.00000 45 2PY 0.00003 -0.00330 -0.00363 -0.00276 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00084 47 15 H 1S 0.00000 0.00034 0.00055 0.00019 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 -0.00045 -0.00003 -0.00075 0.00000 50 2PX 0.00000 -0.00009 -0.00008 -0.00024 0.00000 51 2PY 0.00000 -0.00064 -0.00010 -0.00067 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00093 53 17 H 1S 0.00000 -0.00026 -0.00012 -0.00018 0.00000 54 18 H 1S 0.00000 0.00001 -0.00001 0.00002 0.00000 55 19 C 1S 0.00000 0.00003 0.00009 0.00000 0.00000 56 2S 0.00003 -0.00298 -0.00791 -0.00022 0.00000 57 2PX 0.00009 -0.00760 -0.01003 0.00028 0.00000 58 2PY 0.00001 -0.00037 -0.00115 0.00025 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 60 20 H 1S 0.00000 0.00042 0.00093 -0.00001 0.00000 11 12 13 14 15 11 3 C 1S 2.06693 12 2S -0.05107 0.83248 13 2PX 0.00000 0.00000 0.61636 14 2PY 0.00000 0.00000 0.00000 0.60250 15 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897 16 4 C 1S 0.00000 -0.00232 -0.00366 -0.00295 0.00000 17 2S -0.00231 0.03216 0.06185 0.04759 0.00000 18 2PX -0.00374 0.06207 0.02267 0.06553 0.00000 19 2PY -0.00295 0.04848 0.06347 0.00651 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.09641 21 5 C 1S 0.00000 0.00003 0.00009 0.00001 0.00000 22 2S 0.00003 -0.00298 -0.00760 -0.00037 0.00000 23 2PX 0.00009 -0.00791 -0.01003 -0.00115 0.00000 24 2PY 0.00000 -0.00022 0.00028 0.00025 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 26 6 H 1S 0.00015 -0.00998 -0.00116 -0.01428 0.00000 27 7 H 1S -0.00694 0.13971 0.22866 0.02650 0.00000 28 8 H 1S 0.00000 0.00042 0.00072 0.00021 0.00000 29 9 C 1S 0.00000 0.00003 0.00000 0.00007 0.00000 30 2S 0.00003 -0.00376 -0.00026 -0.00720 0.00000 31 2PX 0.00001 -0.00091 -0.00015 -0.00034 0.00000 32 2PY 0.00006 -0.00606 -0.00167 -0.00779 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00083 34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 0.00007 0.00003 0.00014 0.00000 36 2PX 0.00000 0.00005 0.00001 0.00008 0.00000 37 2PY 0.00000 0.00015 0.00008 0.00018 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00012 39 11 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 40 12 H 1S 0.00002 -0.00194 0.00012 -0.00217 0.00000 41 13 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 42 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 43 2S 0.00000 0.00006 0.00002 0.00015 0.00000 44 2PX 0.00000 0.00004 0.00000 0.00007 0.00000 45 2PY 0.00000 0.00013 0.00004 0.00027 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 47 15 H 1S 0.00000 -0.00001 0.00000 -0.00001 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 51 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 54 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 19 C 1S 0.00000 0.00001 0.00001 0.00000 0.00000 56 2S 0.00001 -0.00128 -0.00170 -0.00018 0.00000 57 2PX 0.00001 -0.00170 -0.00159 -0.00064 0.00000 58 2PY 0.00000 -0.00018 -0.00064 -0.00009 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00310 60 20 H 1S 0.00000 0.00001 0.00002 0.00001 0.00000 16 17 18 19 20 16 4 C 1S 2.06612 17 2S -0.05123 0.84204 18 2PX 0.00000 0.00000 0.60379 19 2PY 0.00000 0.00000 0.00000 0.59675 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.77248 21 5 C 1S 0.00000 -0.00233 -0.00594 -0.00073 0.00000 22 2S -0.00235 0.03239 0.09792 0.01155 0.00000 23 2PX -0.00585 0.09658 0.10954 0.02517 0.00000 24 2PY -0.00081 0.01277 0.02738 -0.00385 0.00000 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.09688 26 6 H 1S 0.00000 0.00041 0.00034 0.00058 0.00000 27 7 H 1S 0.00014 -0.00941 -0.01478 -0.00125 0.00000 28 8 H 1S 0.00013 -0.00899 -0.01556 -0.00015 0.00000 29 9 C 1S 0.00000 -0.00176 -0.00024 -0.00497 0.00000 30 2S -0.00176 0.03183 0.00440 0.09807 0.00000 31 2PX -0.00033 0.00765 -0.00224 0.01415 0.00000 32 2PY -0.00493 0.09720 0.00999 0.13062 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.03418 34 10 C 1S 0.00000 0.00002 0.00000 0.00006 0.00000 35 2S 0.00002 -0.00173 -0.00043 -0.00490 0.00000 36 2PX 0.00000 0.00009 0.00013 -0.00062 0.00000 37 2PY 0.00006 -0.00621 -0.00009 -0.00884 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00136 39 11 H 1S 0.00001 -0.00150 0.00009 -0.00214 0.00000 40 12 H 1S 0.00014 -0.01051 -0.00556 -0.01015 0.00000 41 13 H 1S 0.00000 0.00043 -0.00001 0.00089 0.00000 42 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 43 2S 0.00000 0.00000 0.00000 0.00000 0.00000 44 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 45 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 51 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 19 C 1S 0.00000 0.00002 0.00004 0.00004 0.00000 56 2S 0.00002 -0.00195 -0.00281 -0.00377 0.00000 57 2PX 0.00003 -0.00325 -0.00170 -0.00116 0.00000 58 2PY 0.00006 -0.00435 -0.00397 -0.00309 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00132 60 20 H 1S 0.00000 0.00042 0.00070 0.00022 0.00000 21 22 23 24 25 21 5 C 1S 2.06661 22 2S -0.05069 0.82629 23 2PX 0.00000 0.00000 0.61200 24 2PY 0.00000 0.00000 0.00000 0.60817 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.79897 26 6 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 27 7 H 1S 0.00000 0.00042 0.00093 -0.00001 0.00000 28 8 H 1S -0.00697 0.13978 0.14929 0.10578 0.00000 29 9 C 1S 0.00000 0.00002 0.00002 0.00003 0.00000 30 2S 0.00002 -0.00226 -0.00207 -0.00373 0.00000 31 2PX 0.00003 -0.00274 -0.00134 -0.00154 0.00000 32 2PY 0.00003 -0.00330 -0.00363 -0.00276 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00084 34 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 35 2S 0.00000 -0.00045 -0.00003 -0.00075 0.00000 36 2PX 0.00000 -0.00009 -0.00008 -0.00024 0.00000 37 2PY 0.00000 -0.00064 -0.00010 -0.00067 0.00000 38 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00093 39 11 H 1S 0.00000 -0.00026 -0.00012 -0.00018 0.00000 40 12 H 1S 0.00000 0.00034 0.00055 0.00019 0.00000 41 13 H 1S 0.00000 0.00001 -0.00001 0.00002 0.00000 42 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 43 2S 0.00000 0.00007 0.00000 0.00022 0.00000 44 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 45 2PY 0.00000 0.00017 -0.00001 0.00039 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 47 15 H 1S 0.00000 0.00001 0.00000 0.00002 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 51 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 19 C 1S 0.00000 -0.00249 -0.00021 -0.00693 0.00000 56 2S -0.00249 0.03229 0.00274 0.11056 0.00000 57 2PX -0.00028 0.00507 0.00080 0.00871 0.00000 58 2PY -0.00689 0.10892 0.00864 0.13790 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.11261 60 20 H 1S 0.00015 -0.00997 -0.00572 -0.00967 0.00000 26 27 28 29 30 26 6 H 1S 0.58699 27 7 H 1S -0.00383 0.58888 28 8 H 1S 0.00000 -0.00003 0.58699 29 9 C 1S 0.00000 0.00002 0.00001 2.06714 30 2S 0.00000 -0.00187 -0.00122 -0.05110 0.83168 31 2PX 0.00000 -0.00019 -0.00094 0.00000 0.00000 32 2PY -0.00001 -0.00186 -0.00089 0.00000 0.00000 33 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 10 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00318 35 2S 0.00000 0.00001 -0.00039 -0.00318 0.03636 36 2PX 0.00000 0.00000 -0.00057 -0.00355 0.04795 37 2PY 0.00000 0.00002 0.00035 -0.00519 0.07289 38 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 11 H 1S 0.00000 0.00000 0.00056 0.00014 -0.00774 40 12 H 1S 0.00000 0.00103 0.00002 -0.00677 0.13498 41 13 H 1S 0.00000 0.00000 -0.00002 0.00017 -0.00975 42 14 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 43 2S -0.00122 0.00000 0.00000 0.00000 0.00000 44 2PX -0.00094 0.00000 0.00000 0.00000 0.00000 45 2PY -0.00089 -0.00001 -0.00001 0.00000 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S -0.00039 0.00000 0.00000 0.00000 0.00000 50 2PX -0.00057 0.00000 0.00000 0.00000 0.00000 51 2PY 0.00035 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00056 0.00000 0.00000 0.00000 0.00000 54 18 H 1S -0.00002 0.00000 0.00000 0.00000 0.00000 55 19 C 1S 0.00000 0.00000 0.00015 0.00000 0.00000 56 2S 0.00042 0.00001 -0.00998 0.00000 0.00006 57 2PX 0.00072 0.00002 -0.00116 0.00000 0.00002 58 2PY 0.00021 0.00001 -0.01428 0.00000 0.00015 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S -0.00003 0.00000 -0.00383 0.00000 0.00000 31 32 33 34 35 31 2PX 0.62411 32 2PY 0.00000 0.59091 33 2PZ 0.00000 0.00000 0.78659 34 10 C 1S -0.00390 -0.00485 0.00000 2.06711 35 2S 0.05603 0.06352 0.00000 -0.05059 0.81914 36 2PX 0.00043 0.06458 0.00000 0.00000 0.00000 37 2PY 0.06797 0.02123 0.00000 0.00000 0.00000 38 2PZ 0.00000 0.00000 0.17899 0.00000 0.00000 39 11 H 1S -0.01408 -0.00214 0.00000 -0.00692 0.13642 40 12 H 1S 0.24756 0.01049 0.00000 0.00018 -0.01096 41 13 H 1S -0.00065 -0.01380 0.00000 -0.00698 0.13961 42 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 43 2S 0.00000 0.00000 0.00000 0.00000 0.00000 44 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 45 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 51 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00004 0.00013 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00004 0.00000 0.00000 0.00000 58 2PY 0.00007 0.00027 0.00000 0.00000 0.00000 59 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 60 20 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 36 37 38 39 40 36 2PX 0.62076 37 2PY 0.00000 0.61435 38 2PZ 0.00000 0.00000 0.82964 39 11 H 1S 0.25064 0.00582 0.00000 0.58675 40 12 H 1S -0.01484 -0.00204 0.00000 0.00204 0.59545 41 13 H 1S 0.02751 0.22812 0.00000 -0.02373 -0.00509 42 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 43 2S 0.00000 0.00000 0.00000 0.00000 0.00000 44 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 45 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 48 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 51 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 54 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 19 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 13 H 1S 0.58395 42 14 C 1S 0.00000 2.06714 43 2S 0.00000 -0.05110 0.83168 44 2PX 0.00000 0.00000 0.00000 0.62411 45 2PY 0.00000 0.00000 0.00000 0.00000 0.59091 46 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 47 15 H 1S 0.00000 -0.00677 0.13498 0.24756 0.01049 48 16 C 1S 0.00000 0.00000 -0.00318 -0.00390 -0.00485 49 2S 0.00000 -0.00318 0.03636 0.05603 0.06352 50 2PX 0.00000 -0.00355 0.04795 0.00043 0.06458 51 2PY 0.00000 -0.00519 0.07289 0.06797 0.02123 52 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.00014 -0.00774 -0.01408 -0.00214 54 18 H 1S 0.00000 0.00017 -0.00975 -0.00065 -0.01380 55 19 C 1S 0.00000 0.00000 0.00003 0.00001 0.00006 56 2S 0.00000 0.00003 -0.00376 -0.00091 -0.00606 57 2PX 0.00000 0.00000 -0.00026 -0.00015 -0.00167 58 2PY 0.00000 0.00007 -0.00720 -0.00034 -0.00779 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.00000 0.00002 -0.00187 -0.00019 -0.00186 46 47 48 49 50 46 2PZ 0.78659 47 15 H 1S 0.00000 0.59545 48 16 C 1S 0.00000 0.00018 2.06711 49 2S 0.00000 -0.01096 -0.05059 0.81914 50 2PX 0.00000 -0.01484 0.00000 0.00000 0.62076 51 2PY 0.00000 -0.00204 0.00000 0.00000 0.00000 52 2PZ 0.17899 0.00000 0.00000 0.00000 0.00000 53 17 H 1S 0.00000 0.00204 -0.00692 0.13642 0.25064 54 18 H 1S 0.00000 -0.00509 -0.00698 0.13961 0.02751 55 19 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 56 2S 0.00000 -0.00194 0.00000 0.00007 0.00005 57 2PX 0.00000 0.00012 0.00000 0.00003 0.00001 58 2PY 0.00000 -0.00217 0.00000 0.00014 0.00008 59 2PZ -0.00083 0.00000 0.00000 0.00000 0.00000 60 20 H 1S 0.00000 0.00103 0.00000 0.00001 0.00000 51 52 53 54 55 51 2PY 0.61435 52 2PZ 0.00000 0.82964 53 17 H 1S 0.00582 0.00000 0.58675 54 18 H 1S 0.22812 0.00000 -0.02373 0.58395 55 19 C 1S 0.00000 0.00000 0.00000 0.00000 2.06693 56 2S 0.00015 0.00000 0.00000 0.00000 -0.05107 57 2PX 0.00008 0.00000 0.00001 0.00000 0.00000 58 2PY 0.00018 0.00000 0.00000 -0.00001 0.00000 59 2PZ 0.00000 -0.00012 0.00000 0.00000 0.00000 60 20 H 1S 0.00002 0.00000 0.00000 0.00000 -0.00694 56 57 58 59 60 56 2S 0.83248 57 2PX 0.00000 0.61636 58 2PY 0.00000 0.00000 0.60250 59 2PZ 0.00000 0.00000 0.00000 0.79897 60 20 H 1S 0.13971 0.22866 0.02650 0.00000 0.58888 Gross orbital populations: 1 1 1 C 1S 1.99066 2 2S 1.14605 3 2PX 0.94457 4 2PY 0.92992 5 2PZ 0.99332 6 2 C 1S 1.99077 7 2S 1.15782 8 2PX 0.96469 9 2PY 0.96281 10 2PZ 1.00104 11 3 C 1S 1.99080 12 2S 1.16018 13 2PX 0.97419 14 2PY 0.95010 15 2PZ 1.00138 16 4 C 1S 1.99066 17 2S 1.14605 18 2PX 0.94457 19 2PY 0.92992 20 2PZ 0.99332 21 5 C 1S 1.99077 22 2S 1.15782 23 2PX 0.96469 24 2PY 0.96281 25 2PZ 1.00104 26 6 H 1S 0.92079 27 7 H 1S 0.92230 28 8 H 1S 0.92079 29 9 C 1S 1.99088 30 2S 1.16280 31 2PX 0.98867 32 2PY 0.93595 33 2PZ 0.99805 34 10 C 1S 1.99097 35 2S 1.17797 36 2PX 0.99223 37 2PY 0.98744 38 2PZ 1.00622 39 11 H 1S 0.92367 40 12 H 1S 0.92312 41 13 H 1S 0.92066 42 14 C 1S 1.99088 43 2S 1.16280 44 2PX 0.98867 45 2PY 0.93595 46 2PZ 0.99805 47 15 H 1S 0.92312 48 16 C 1S 1.99097 49 2S 1.17797 50 2PX 0.99223 51 2PY 0.98744 52 2PZ 1.00622 53 17 H 1S 0.92367 54 18 H 1S 0.92066 55 19 C 1S 1.99080 56 2S 1.16018 57 2PX 0.97419 58 2PY 0.95010 59 2PZ 1.00138 60 20 H 1S 0.92230 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.778719 0.488320 -0.027150 -0.009776 -0.026980 -0.024563 2 C 0.488320 4.810655 0.508959 -0.026980 -0.010505 0.387880 3 C -0.027150 0.508959 4.815090 0.488801 -0.030711 -0.025274 4 C -0.009776 -0.026980 0.488801 4.778719 0.488320 0.001331 5 C -0.026980 -0.010505 -0.030711 0.488320 4.810655 0.000032 6 H -0.024563 0.387880 -0.025274 0.001331 0.000032 0.586993 7 H 0.001335 -0.025205 0.387926 -0.025303 0.001342 -0.003826 8 H 0.001331 0.000032 0.001346 -0.024563 0.387880 0.000002 9 C 0.000016 0.000818 -0.028765 0.411854 -0.024072 -0.000015 10 C 0.000000 -0.000007 0.000680 -0.023794 -0.003969 0.000000 11 H 0.000000 0.000000 0.000013 -0.003533 -0.000563 0.000000 12 H -0.000001 0.000022 -0.003962 -0.026069 0.001086 -0.000002 13 H 0.000000 0.000000 -0.000016 0.001320 0.000018 0.000000 14 C 0.411854 -0.024072 0.000749 0.000016 0.000818 -0.003040 15 H -0.026069 0.001086 -0.000017 -0.000001 0.000022 0.000019 16 C -0.023794 -0.003969 0.000015 0.000000 -0.000007 -0.000607 17 H -0.003533 -0.000563 -0.000012 0.000000 0.000000 0.000563 18 H 0.001320 0.000018 0.000000 0.000000 0.000000 -0.000017 19 C 0.488801 -0.030711 -0.011067 -0.027150 0.508959 0.001346 20 H -0.025303 0.001342 0.000039 0.001335 -0.025205 -0.000034 7 8 9 10 11 12 1 C 0.001335 0.001331 0.000016 0.000000 0.000000 -0.000001 2 C -0.025205 0.000032 0.000818 -0.000007 0.000000 0.000022 3 C 0.387926 0.001346 -0.028765 0.000680 0.000013 -0.003962 4 C -0.025303 -0.024563 0.411854 -0.023794 -0.003533 -0.026069 5 C 0.001342 0.387880 -0.024072 -0.003969 -0.000563 0.001086 6 H -0.003826 0.000002 -0.000015 0.000000 0.000000 -0.000002 7 H 0.588877 -0.000034 -0.003903 0.000029 0.000001 0.001033 8 H -0.000034 0.586993 -0.003040 -0.000607 0.000563 0.000019 9 C -0.003903 -0.003040 4.798237 0.586095 -0.023816 0.386257 10 C 0.000029 -0.000607 0.586095 4.849826 0.385952 -0.027660 11 H 0.000001 0.000563 -0.023816 0.385952 0.586746 0.002044 12 H 0.001033 0.000019 0.386257 -0.027660 0.002044 0.595454 13 H -0.000002 -0.000017 -0.024045 0.388264 -0.023727 -0.005090 14 C -0.000014 -0.000015 0.000000 0.000000 0.000000 0.000000 15 H 0.000000 -0.000002 0.000000 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000002 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 C 0.000039 -0.025274 0.000749 0.000015 -0.000012 -0.000017 20 H 0.000002 -0.003826 -0.000014 0.000000 0.000002 0.000000 13 14 15 16 17 18 1 C 0.000000 0.411854 -0.026069 -0.023794 -0.003533 0.001320 2 C 0.000000 -0.024072 0.001086 -0.003969 -0.000563 0.000018 3 C -0.000016 0.000749 -0.000017 0.000015 -0.000012 0.000000 4 C 0.001320 0.000016 -0.000001 0.000000 0.000000 0.000000 5 C 0.000018 0.000818 0.000022 -0.000007 0.000000 0.000000 6 H 0.000000 -0.003040 0.000019 -0.000607 0.000563 -0.000017 7 H -0.000002 -0.000014 0.000000 0.000000 0.000002 0.000000 8 H -0.000017 -0.000015 -0.000002 0.000000 0.000000 0.000000 9 C -0.024045 0.000000 0.000000 0.000000 0.000000 0.000000 10 C 0.388264 0.000000 0.000000 0.000000 0.000000 0.000000 11 H -0.023727 0.000000 0.000000 0.000000 0.000000 0.000000 12 H -0.005090 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.583950 0.000000 0.000000 0.000000 0.000000 0.000000 14 C 0.000000 4.798237 0.386257 0.586095 -0.023816 -0.024045 15 H 0.000000 0.386257 0.595454 -0.027660 0.002044 -0.005090 16 C 0.000000 0.586095 -0.027660 4.849826 0.385952 0.388264 17 H 0.000000 -0.023816 0.002044 0.385952 0.586746 -0.023727 18 H 0.000000 -0.024045 -0.005090 0.388264 -0.023727 0.583950 19 C 0.000000 -0.028765 -0.003962 0.000680 0.000013 -0.000016 20 H 0.000000 -0.003903 0.001033 0.000029 0.000001 -0.000002 19 20 1 C 0.488801 -0.025303 2 C -0.030711 0.001342 3 C -0.011067 0.000039 4 C -0.027150 0.001335 5 C 0.508959 -0.025205 6 H 0.001346 -0.000034 7 H 0.000039 0.000002 8 H -0.025274 -0.003826 9 C 0.000749 -0.000014 10 C 0.000015 0.000000 11 H -0.000012 0.000002 12 H -0.000017 0.000000 13 H 0.000000 0.000000 14 C -0.028765 -0.003903 15 H -0.003962 0.001033 16 C 0.000680 0.000029 17 H 0.000013 0.000001 18 H -0.000016 -0.000002 19 C 4.815090 0.387926 20 H 0.387926 0.588877 Mulliken atomic charges: 1 1 C -0.004524 2 C -0.077122 3 C -0.076644 4 C -0.004524 5 C -0.077122 6 H 0.079213 7 H 0.077700 8 H 0.079213 9 C -0.076356 10 C -0.154825 11 H 0.076331 12 H 0.076884 13 H 0.079344 14 C -0.076356 15 H 0.076884 16 C -0.154825 17 H 0.076331 18 H 0.079344 19 C -0.076644 20 H 0.077700 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 C -0.004524 2 C 0.002091 3 C 0.001056 4 C -0.004524 5 C 0.002091 6 H 0.000000 7 H 0.000000 8 H 0.000000 9 C 0.000528 10 C 0.000850 11 H 0.000000 12 H 0.000000 13 H 0.000000 14 C 0.000528 15 H 0.000000 16 C 0.000850 17 H 0.000000 18 H 0.000000 19 C 0.001056 20 H 0.000000 Sum of Mulliken charges= 0.00000 N-N= 4.458993288159D+02 E-N=-1.776414678517D+03 KE= 3.758473484030D+02 Symmetry AG KE= 1.814054751525D+02 Symmetry BG KE= 7.823291280964D+00 Symmetry AU KE= 4.696947254065D+00 Symmetry BU KE= 1.819216347156D+02 Orbital energies and kinetic energies (alpha): 1 2 1 (BU)--O -10.02021 15.58257 2 (AG)--O -10.02016 15.58408 3 (BU)--O -10.00812 15.59109 4 (AG)--O -10.00811 15.59114 5 (BU)--O -10.00679 15.57120 6 (AG)--O -10.00678 15.56888 7 (BU)--O -10.00605 15.60601 8 (AG)--O -10.00591 15.61287 9 (BU)--O -9.99233 15.59127 10 (AG)--O -9.99233 15.59127 11 (AG)--O -0.80951 1.39012 12 (BU)--O -0.75399 1.44904 13 (AG)--O -0.71797 1.46133 14 (BU)--O -0.69978 1.49972 15 (BU)--O -0.66750 1.55689 16 (AG)--O -0.58869 1.33435 17 (AG)--O -0.55892 1.34894 18 (BU)--O -0.53166 1.32250 19 (AG)--O -0.51017 1.16770 20 (AG)--O -0.45745 1.02470 21 (BU)--O -0.43937 1.07187 22 (BU)--O -0.41060 1.26647 23 (BU)--O -0.39795 1.14866 24 (AG)--O -0.39607 1.14355 25 (BU)--O -0.37397 1.15815 26 (BU)--O -0.35115 1.35245 27 (AG)--O -0.34730 1.15403 28 (AU)--O -0.32450 1.06381 29 (BU)--O -0.31125 1.19293 30 (AG)--O -0.29278 1.40686 31 (AG)--O -0.28746 1.32292 32 (BG)--O -0.26354 1.18151 33 (AU)--O -0.21244 1.28466 34 (BG)--O -0.19505 1.32255 35 (BG)--O -0.15308 1.40758 36 (AU)--V 0.03742 1.70113 37 (AU)--V 0.09037 1.81833 38 (BG)--V 0.11061 1.83357 39 (AU)--V 0.18220 2.01329 40 (BG)--V 0.27253 2.21150 41 (AG)--V 0.33223 2.26468 42 (BU)--V 0.34072 2.04602 43 (BU)--V 0.37937 2.59629 44 (AG)--V 0.38146 2.16550 45 (AG)--V 0.41097 2.78055 46 (BU)--V 0.41195 2.76645 47 (BU)--V 0.42676 2.31897 48 (AG)--V 0.43964 3.17159 49 (BU)--V 0.45276 2.75714 50 (AG)--V 0.47826 2.94891 51 (AG)--V 0.52624 2.91589 52 (BU)--V 0.54582 2.89874 53 (AG)--V 0.57601 2.71790 54 (BU)--V 0.59944 3.19297 55 (BU)--V 0.62498 3.00194 56 (AG)--V 0.63971 2.96280 57 (AG)--V 0.68280 3.18501 58 (BU)--V 0.71724 3.43060 59 (AG)--V 0.77956 3.43716 60 (BU)--V 0.79458 3.51215 Total kinetic energy from orbitals= 3.758473484030D+02 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue Jun 08 16:54:51 2004, MaxMem= 13107200 cpu: 1.0 (Enter C:\Gaussian\l9999.exe) Test job not archived. 1|1|UNPC-UNK|SP|RB3LYP|STO-3G|C10H10|PCUSER|08-Jun-2004|0||#P B3LYP/ST O-3G GUESS=READ GEOM=ALLCHECK POP=FULL IOP(3/33=1,3/36=-1)||Title Card Required||0,1|C,0,-1.2665282314,0.,-0.6759234384|C,0,-1.1952729704,0. ,0.7434426948|C,0,0.042966895,0.,1.4013577942|C,0,1.2665282314,0.,0.67 59234384|C,0,1.1952729704,0.,-0.7434426948|H,0,-2.1195673318,0.,1.3354 294411|H,0,0.074520287,0.,2.4995668645|H,0,2.1195673318,0.,-1.33542944 11|C,0,2.5613291298,0.,1.4284632991|C,0,3.7965105345,0.,0.8980075471|H ,0,3.9756208258,0.,-0.1832480927|H,0,2.4514372375,0.,2.5233689466|H,0, 4.688629921,0.,1.5350627896|C,0,-2.5613291298,0.,-1.4284632991|H,0,-2. 4514372375,0.,-2.5233689466|C,0,-3.7965105345,0.,-0.8980075471|H,0,-3. 9756208258,0.,0.1832480927|H,0,-4.688629921,0.,-1.5350627896|C,0,-0.04 2966895,0.,-1.4013577942|H,0,-0.074520287,0.,-2.4995668645||Version=x8 6-Win32-G03RevB.04|State=1-AG|HF=-382.3082511|RMSD=8.843e-007|PG=C02H [SGH(C10H10)]||@ A great many people think they are thinking when they are merely rearranging their prejudices. -- William James Job cpu time: 0 days 0 hours 0 minutes 31.0 seconds. File lengths (MBytes): RWF= 11 Int= 0 D2E= 0 Chk= 8 Scr= 1 Normal termination of Gaussian 03 at Tue Jun 08 16:54:53 2004.