Orca 5.0.3 RELEASE 1 2 3 4 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl Cl O O O C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 1 1 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:3.0462,-1.0392,2.3776;2.9737,-3.7807,3.2733;-1.6266,-1.7957,-1.5537;-.0551,-.2077,-1.5812;-2.7535,3.6158,.3333;1.9198,-2.6276,-1.7063;1.7793,-2.1782,-.2815;.5378,-2.4801,-1.1074;2.3579,-4.0415,-2.0067;2.4476,-1.6295,-2.7075;2.0993,-3.0544,.8502;-.3723,-1.3639,-1.437;2.6332,-2.6675,2.0022;-2.6493,-.8166,-1.7759;-2.8413,.0661,-.5751;-2.716,1.4419,-.7008;-3.1262,-.4904,.6694;-2.8508,2.2545,.4174;-3.2743,.3314,1.7753;-3.1274,1.707,1.6604;-1.7538,4.1927,-.3996;-2.0394,5.421,-.9815;-.4898,3.6275,-.5288;-1.0547,6.0853,-1.6975;.481,4.2995,-1.258;.2075,5.5266,-1.8461;1.9633,-1.1215,-.1243;.0371,-3.4156,-.8843;3.4389,-4.1416,-1.8919;1.8825,-4.786,-1.3687;2.1108,-4.298,-3.0385;3.5306,-1.74,-2.7907;2.0222,-1.8102,-3.6967;2.2454,-.5962,-2.4365;1.8791,-4.1107,.7515;-2.4308,-.2277,-2.6688;-3.5448,-1.4045,-1.9758;-2.4962,1.8728,-1.6705;-3.231,-1.563,.7784;-3.4954,-.1001,2.743;-3.2277,2.3488,2.5266;-3.0262,5.853,-.8707;-.2523,2.6745,-.073;-1.2828,7.0422,-2.1493;1.4628,3.8552,-1.3601;.9707,6.0432,-2.4128; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1498 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 204 Dim 1108 ENuc 2510.3858133189 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.956e-06 Time for diagonalization 0.751 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.600 sec Total time needed 1.373 sec 17 17 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:3.0462,-1.0392,2.3776;2.9737,-3.7807,3.2733;-1.6266,-1.7957,-1.5537;-.0551,-.2077,-1.5812;-2.7535,3.6158,.3333;1.9198,-2.6276,-1.7063;1.7793,-2.1782,-.2815;.5378,-2.4801,-1.1074;2.3579,-4.0415,-2.0067;2.4476,-1.6295,-2.7075;2.0993,-3.0544,.8502;-.3723,-1.3639,-1.437;2.6332,-2.6675,2.0022;-2.6493,-.8166,-1.7759;-2.8413,.0661,-.5751;-2.716,1.4419,-.7008;-3.1262,-.4904,.6694;-2.8508,2.2545,.4174;-3.2743,.3314,1.7753;-3.1274,1.707,1.6604;-1.7538,4.1927,-.3996;-2.0394,5.421,-.9815;-.4898,3.6275,-.5288;-1.0547,6.0853,-1.6975;.481,4.2995,-1.258;.2075,5.5266,-1.8461;1.9633,-1.1215,-.1243;.0371,-3.4156,-.8843;3.4389,-4.1416,-1.8919;1.8825,-4.786,-1.3687;2.1108,-4.298,-3.0385;3.5306,-1.74,-2.7907;2.0222,-1.8102,-3.6967;2.2454,-.5962,-2.4365;1.8791,-4.1107,.7515;-2.4308,-.2277,-2.6688;-3.5448,-1.4045,-1.9758;-2.4962,1.8728,-1.6705;-3.231,-1.563,.7784;-3.4954,-.1001,2.743;-3.2277,2.3488,2.5266;-3.0262,5.853,-.8707;-.2523,2.6745,-.073;-1.2828,7.0422,-2.1493;1.4628,3.8552,-1.3601;.9707,6.0432,-2.4128; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:3.0462,-1.0392,2.3776;2.9737,-3.7807,3.2733;-1.6266,-1.7957,-1.5537;-.0551,-.2077,-1.5812;-2.7535,3.6158,.3333;1.9198,-2.6276,-1.7063;1.7793,-2.1782,-.2815;.5378,-2.4801,-1.1074;2.3579,-4.0415,-2.0067;2.4476,-1.6295,-2.7075;2.0993,-3.0544,.8502;-.3723,-1.3639,-1.437;2.6332,-2.6675,2.0022;-2.6493,-.8166,-1.7759;-2.8413,.0661,-.5751;-2.716,1.4419,-.7008;-3.1262,-.4904,.6694;-2.8508,2.2545,.4174;-3.2743,.3314,1.7753;-3.1274,1.707,1.6604;-1.7538,4.1927,-.3996;-2.0394,5.421,-.9815;-.4898,3.6275,-.5288;-1.0547,6.0853,-1.6975;.481,4.2995,-1.258;.2075,5.5266,-1.8461;1.9633,-1.1215,-.1243;.0371,-3.4156,-.8843;3.4389,-4.1416,-1.8919;1.8825,-4.786,-1.3687;2.1108,-4.298,-3.0385;3.5306,-1.74,-2.7907;2.0222,-1.8102,-3.6967;2.2454,-.5962,-2.4365;1.8791,-4.1107,.7515;-2.4308,-.2277,-2.6688;-3.5448,-1.4045,-1.9758;-2.4962,1.8728,-1.6705;-3.231,-1.563,.7784;-3.4954,-.1001,2.743;-3.2277,2.3488,2.5266;-3.0262,5.853,-.8707;-.2523,2.6745,-.073;-1.2828,7.0422,-2.1493;1.4628,3.8552,-1.3601;.9707,6.0432,-2.4128; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O C H 2.3800 1.6280 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2704 GEPOL Volume 2788.0904 GEPOL Surface-area 1550.4091 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.1s -1958.44942717 2510.38581332 -4468.83524049 -7675.00062584 3206.16538535 -0.02513891 -3911.01737398 1952.56794682 2.00301218 102.000000621966 102.000000621966 204.000001243932 -143.507246082033 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6442 -2765.5997 -524.7618 -524.5705 -523.0837 -283.4083 -282.7705 -281.5250 -281.5207 -281.2573 -280.5474 -280.3664 -280.3258 -280.2170 -280.1388 -279.8380 -279.7819 -279.7787 -279.7765 -279.7313 -279.7095 -279.6784 -279.6729 -279.5785 -279.3093 -279.2125 -260.9125 -260.8675 -199.7538 -199.7106 -199.5078 -199.5019 -199.4606 -199.4572 -33.6768 -32.9165 -31.1277 -28.4002 -27.5658 -26.9708 -26.5515 -25.9863 -24.6977 -24.0790 -23.9891 -23.6146 -23.3985 -23.0267 -22.4975 -21.9213 -20.7131 -20.4827 -19.7790 -19.4787 -19.0896 -18.6579 -18.1404 -18.0419 -17.3382 -16.8873 -16.8450 -16.4028 -16.1691 -16.0576 -15.9518 -15.7934 -15.7342 -15.6039 -14.8657 -14.7502 -14.6344 -14.5074 -14.4271 -14.2077 -14.1351 -13.8766 -13.8553 -13.6882 -13.5789 -13.2870 -13.0165 -12.8584 -12.8041 -12.7851 -12.4462 -12.4049 -12.1589 -12.0953 -11.8795 -11.8465 -11.7296 -11.6310 -11.3512 -11.1884 -11.1270 -10.5781 -10.2518 -9.5479 -9.3511 -9.2497 -8.8413 -8.3917 1.3013 1.4205 1.5388 1.8626 2.1167 2.4005 2.5904 3.1974 3.3721 3.8364 3.8689 4.2281 4.2987 4.3596 4.5273 4.6143 4.8016 4.8655 4.9790 5.0640 5.1227 5.2429 5.2795 5.4717 5.5332 5.7003 5.8229 5.9308 6.0125 6.1445 6.2685 6.3682 6.4982 6.5866 6.6809 6.8304 6.9760 7.0534 7.1680 7.2949 7.4547 7.5424 7.7268 7.8491 7.9397 8.0075 8.0863 8.1140 8.1969 8.2755 8.3851 8.5246 8.5906 8.6541 8.7633 8.8673 8.9857 9.2833 9.3256 9.4583 9.5890 9.6431 9.6811 9.7500 9.8906 10.0937 10.2364 10.2995 10.3998 10.4982 10.5826 10.7069 10.8037 10.8794 11.1542 11.2358 11.2835 11.3424 11.3527 11.4183 11.5814 11.6327 11.7570 11.8555 11.9138 11.9631 11.9668 12.1191 12.1927 12.3560 12.4331 12.4743 12.5944 12.6810 12.7497 12.8138 12.9461 13.0612 13.1567 13.2381 13.2709 13.3277 13.5989 13.6774 13.7550 13.7763 13.8983 14.0303 14.0782 14.1024 14.3563 14.3635 14.3818 14.5143 14.6332 14.7438 14.8372 14.8900 15.0675 15.1221 15.1649 15.3496 15.3711 15.4309 15.5791 15.7401 15.8495 15.8995 15.9544 16.0327 16.2059 16.2092 16.2872 16.3544 16.4831 16.7043 16.8110 16.8695 16.9981 17.0822 17.1571 17.3618 17.5363 17.7009 17.8248 17.9782 18.0427 18.1894 18.4509 18.5800 18.6923 18.8759 19.0337 19.2628 19.3383 19.5472 19.6661 19.7247 19.8532 19.9271 20.1293 20.2418 20.3863 20.6273 20.6632 20.8012 20.8340 20.9271 21.0691 21.1032 21.2021 21.3960 21.6140 21.7498 21.8289 21.9627 22.1946 22.2396 22.3033 22.4101 22.7169 22.7856 22.8321 23.1633 23.2001 23.4204 23.5759 23.6074 23.6938 23.9312 24.1046 24.1882 24.4350 24.5391 24.6741 24.7868 24.9591 25.1056 25.2910 25.5022 25.6816 25.7695 25.9980 26.1383 26.3206 26.5129 26.8514 26.9072 27.1032 27.2505 27.3113 27.3408 27.5475 27.8563 27.9897 28.1005 28.1341 28.5240 28.6615 28.7531 28.8282 28.8870 29.1684 29.2555 29.3447 29.4298 29.5195 29.7055 29.7352 29.9626 30.1412 30.1686 30.3264 30.3799 30.4863 30.7628 30.8486 30.9432 31.2298 31.2705 31.3139 31.4072 31.6196 32.0174 32.0889 32.2006 32.3254 32.4269 32.6545 32.7131 32.9239 33.0714 33.2547 33.3752 33.5012 33.6536 33.8850 34.0363 34.1923 34.4539 34.5171 34.6742 34.7523 34.8919 35.1050 35.2362 35.2770 35.3638 35.5853 35.9682 36.0592 36.0883 36.1885 36.2610 36.6525 36.7602 36.8091 36.9295 37.0530 37.1406 37.2905 37.3543 37.7056 37.7412 37.9731 38.0234 38.2602 38.3618 38.3947 38.6491 38.8556 38.9084 38.9315 39.0190 39.2480 39.3591 39.4731 39.5529 39.6417 39.9622 40.1592 40.4066 40.4763 40.7016 40.8567 41.0055 41.0867 41.1409 41.3741 41.6201 41.7155 41.8668 41.9711 42.0864 42.1745 42.3701 42.4288 42.6740 42.8052 42.9074 43.0885 43.1815 43.3431 43.6642 43.7704 43.7921 43.8967 44.0342 44.2224 44.4019 44.4957 44.5617 44.7615 44.8694 44.9059 45.1938 45.3196 45.5560 45.7631 45.8730 45.9612 46.1240 46.1969 46.3066 46.5064 46.7218 46.8420 47.1428 47.2420 47.4192 47.6066 47.8186 48.0238 48.2788 48.3275 48.4770 48.5989 48.7183 48.8471 48.9842 49.1536 49.3470 49.5809 49.7204 49.8118 50.1932 50.3737 50.4785 50.6919 50.7216 50.7675 51.1352 51.1468 51.3830 51.5300 51.5541 51.7051 51.8873 52.2553 52.3932 52.4263 52.5282 52.7022 52.8957 53.1340 53.3078 53.3551 53.5713 54.1195 54.4582 54.5824 54.8651 54.9413 55.0093 55.4842 55.6690 55.8214 56.1162 56.2996 56.4490 56.6252 56.8833 56.9744 57.0623 57.2724 57.3934 57.5640 57.8702 58.0401 58.2061 58.3707 58.5401 58.8268 58.9188 59.0295 59.1832 59.3205 59.4321 59.6421 59.8934 59.9986 60.1166 60.3723 60.6756 60.9191 61.0914 61.5017 61.7477 61.7984 62.1099 62.2247 62.5819 62.7346 62.9982 63.1053 63.2990 63.3968 63.7203 63.7754 64.2026 64.2733 64.3721 64.7671 64.8645 65.0501 65.1108 65.3694 65.5024 65.5863 65.9585 66.2315 66.2591 66.4537 66.7291 66.9734 67.2858 67.3988 67.7530 67.8765 67.9300 68.2496 68.5976 68.6920 69.0689 69.1354 69.3910 69.5731 69.6985 70.2670 70.5837 70.8358 71.3229 71.5154 71.8902 72.0732 72.5832 72.8616 73.0343 73.1941 73.4015 73.8770 74.1980 74.2448 74.3071 74.6691 74.7708 74.9453 75.1194 75.1903 75.4577 75.9311 76.1692 76.3063 76.4188 76.7350 76.8614 77.0168 77.1588 77.3639 77.6514 77.7060 77.7740 77.9335 78.1580 78.3605 78.4178 78.6997 78.8084 78.8864 79.0477 79.1624 79.2828 79.3748 79.4483 79.6892 79.8103 79.8652 79.9872 80.0619 80.3078 80.5190 80.6238 80.8561 81.2459 81.2849 81.3744 81.5655 81.7420 82.0098 82.0610 82.1125 82.3090 82.4007 82.4679 82.6155 82.7354 82.9575 83.0933 83.2654 83.2937 83.3742 83.4843 83.6912 83.8642 84.2408 84.4463 84.4864 84.7210 84.9104 84.9588 85.1089 85.1951 85.2758 85.3494 85.3895 85.5431 85.5999 85.7387 85.9352 85.9494 86.0991 86.3483 86.3692 86.5321 86.6950 86.7929 86.9582 87.0887 87.2908 87.4506 87.6213 87.7703 87.9220 88.2210 88.3143 88.5421 88.5722 88.6833 88.8914 88.9344 89.1566 89.2228 89.2739 89.3374 89.4855 89.5646 89.6800 89.9869 90.0478 90.2866 90.4696 90.5373 90.7899 90.8266 91.1010 91.1558 91.2554 91.5287 91.8347 91.9872 92.0679 92.1385 92.2594 92.4397 92.6131 92.7903 92.8504 92.8998 92.9498 93.0846 93.2060 93.2844 93.4599 93.5059 93.6191 93.7208 93.8405 93.9387 94.1003 94.3446 94.4818 94.5322 94.6061 94.8409 94.9880 95.0564 95.1611 95.3298 95.5034 95.5681 95.7157 95.7285 95.9673 96.0231 96.3769 96.7283 96.7827 96.8790 96.9122 97.0975 97.2359 97.4335 97.6116 97.7215 97.7415 97.9583 98.1498 98.2786 98.5205 98.6902 98.7617 98.8312 99.0240 99.2312 99.3062 99.5015 99.5621 99.8393 99.8719 100.1520 100.3838 100.5126 100.8783 100.9690 101.1088 101.2071 101.5314 101.5710 101.8332 102.0125 102.3931 102.6535 102.7853 102.8800 103.0531 103.3393 103.4040 103.5824 104.0682 104.1117 104.4201 104.5784 104.6607 104.7187 104.9074 105.1685 105.4181 105.5277 105.5722 105.7155 105.8146 105.9345 106.0895 106.2811 106.3266 106.5053 106.6156 106.8315 106.9088 107.1033 107.2826 107.3717 107.4869 107.6458 107.7801 108.0513 108.2517 108.3330 108.5334 108.6374 108.9308 109.2535 109.2996 109.4906 109.6603 109.7753 110.0114 110.1670 110.4771 110.5206 110.7235 110.9820 111.1657 111.2518 111.4082 111.5358 111.7139 111.9272 112.0528 112.1758 112.5510 112.8554 112.9084 112.9996 113.3418 113.4251 113.6186 113.6950 113.9084 114.1710 114.5820 114.6712 114.8311 114.8482 115.0374 115.2013 115.4157 115.6714 115.9224 116.0580 116.2138 116.2844 116.3908 116.7375 116.7977 116.8944 117.0542 117.1155 117.3690 117.5677 117.6263 117.6607 117.8475 117.9432 118.0355 118.1108 118.3496 118.4388 118.5852 118.6773 118.8044 118.8759 119.1071 119.2980 119.3774 119.4390 119.9173 120.0968 120.2396 120.3828 120.4962 120.6210 121.0050 121.0243 121.4011 121.6142 121.7259 121.9715 122.1227 122.1942 122.2917 122.5200 123.0460 123.3041 123.5363 123.8353 124.0975 124.1938 124.4789 125.0222 125.2477 125.6802 125.8876 126.1470 126.2804 126.4754 126.6691 127.2047 127.9142 128.3560 128.5845 128.7690 128.8925 129.1012 129.2742 129.4307 129.6426 129.8193 129.9776 130.3746 130.5499 130.7136 130.7794 131.0364 131.1929 131.2043 131.3466 131.6569 131.7796 131.9158 132.0972 132.2375 132.4320 132.8878 133.0142 133.2489 133.5082 133.8495 134.1501 134.6189 134.6650 135.0494 135.2209 135.2531 135.7427 136.0815 136.5347 136.7230 137.0898 137.3621 137.9803 138.0648 138.4101 138.4931 138.6623 138.8729 139.1297 139.4402 139.6875 139.7114 140.3798 140.7719 141.0041 141.3715 141.4736 141.8671 142.6963 143.0452 143.4608 143.9523 144.1878 144.2205 144.4265 144.4888 144.5912 145.1239 145.2025 145.5643 145.6286 145.9268 146.2795 146.4470 146.7634 147.2304 147.2801 147.5218 147.8657 148.0943 148.1667 148.4244 148.8303 148.9845 149.5618 149.6238 149.8723 150.2427 150.4709 150.7245 150.9923 151.4850 151.6860 151.8674 152.4822 152.5930 152.6851 153.2751 153.4650 153.4826 154.3551 154.6973 154.7517 155.1875 156.0501 156.2885 156.6775 156.7305 156.8981 157.2038 157.8832 158.1903 158.5793 159.1801 159.3236 159.6492 160.0761 160.4230 161.0721 161.9622 162.1847 162.7614 163.6199 163.8642 164.2614 164.9101 167.1052 168.8254 170.1999 171.3890 172.2288 172.7501 173.1367 174.5253 176.3815 177.9079 178.7321 179.8177 180.6757 182.2643 185.3477 186.2933 186.8282 187.5431 188.9032 189.5553 192.2659 192.5144 193.4865 195.3212 196.9109 199.2846 202.1841 204.9492 206.5321 206.9638 221.3472 221.6849 222.4107 222.9321 222.9799 223.5444 225.7345 226.0047 227.9169 229.2855 294.5165 294.7869 295.7280 297.1347 308.5431 313.3225 609.1992 618.0797 620.4677 625.6640 629.2534 631.0455 631.9968 634.0216 634.2921 635.1837 635.2899 635.7356 636.7743 637.6714 639.2671 640.3915 643.0373 647.1869 650.3759 657.2911 658.0752 701.4418 707.6689 1200.1464 1209.3266 1214.9572 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl Cl O O O C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.055971 -0.061732 -0.287227 -0.466168 -0.331235 0.094562 0.025023 -0.077451 -0.270340 -0.271912 -0.202792 0.403481 0.042733 0.098163 0.027709 -0.204403 -0.250139 0.275825 -0.111081 -0.246295 0.295215 -0.255448 -0.190309 -0.119061 -0.146176 -0.191991 0.081435 0.093541 0.101436 0.091601 0.097451 0.095896 0.098946 0.096031 0.126643 0.114929 0.125787 0.142479 0.140716 0.157588 0.146338 0.144125 0.149913 0.157122 0.158346 0.156698 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl Cl O O O C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 17.0560 17.0617 8.2872 8.4662 8.3312 5.9054 5.9750 6.0775 6.2703 6.2719 6.2028 5.5965 5.9573 5.9018 5.9723 6.2044 6.2501 5.7242 6.1111 6.2463 5.7048 6.2554 6.1903 6.1191 6.1462 6.1920 0.9186 0.9065 0.8986 0.9084 0.9025 0.9041 0.9011 0.9040 0.8734 0.8851 0.8742 0.8575 0.8593 0.8424 0.8537 0.8559 0.8501 0.8429 0.8417 0.8433 17.0000 17.0000 8.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0560 -0.0617 -0.2872 -0.4662 -0.3312 0.0946 0.0250 -0.0775 -0.2703 -0.2719 -0.2028 0.4035 0.0427 0.0982 0.0277 -0.2044 -0.2501 0.2758 -0.1111 -0.2463 0.2952 -0.2554 -0.1903 -0.1191 -0.1462 -0.1920 0.0814 0.0935 0.1014 0.0916 0.0975 0.0959 0.0989 0.0960 0.1266 0.1149 0.1258 0.1425 0.1407 0.1576 0.1463 0.1441 0.1499 0.1571 0.1583 0.1567 1.2697 1.2431 2.1246 2.0382 2.0771 3.7248 3.8716 3.8317 3.9109 3.9018 3.9035 4.1652 4.2108 3.7978 3.6065 3.9251 3.9669 3.7207 3.8841 4.0235 3.6946 4.0053 3.8888 3.8849 3.8981 3.9099 1.0443 1.0338 1.0004 1.0055 1.0014 0.9997 0.9994 1.0210 1.0204 1.0087 0.9913 1.0084 1.0095 0.9887 1.0059 1.0091 1.0069 0.9890 0.9909 0.9909 1.2697 1.2431 2.1246 2.0382 2.0771 3.7248 3.8716 3.8317 3.9109 3.9018 3.9035 4.1652 4.2108 3.7978 3.6065 3.9251 3.9669 3.7207 3.8841 4.0235 3.6946 4.0053 3.8888 3.8849 3.8981 3.9099 1.0443 1.0338 1.0004 1.0055 1.0014 0.9997 0.9994 1.0210 1.0204 1.0087 0.9913 1.0084 1.0095 0.9887 1.0059 1.0091 1.0069 0.9890 0.9909 0.9909 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1861 1.1567 1.1686 0.8607 1.8727 0.9345 0.9533 0.9104 0.8725 0.9457 0.9474 0.8918 1.0410 0.9966 1.0182 1.0171 0.9938 0.9890 0.9882 0.9879 0.9925 0.9881 1.8535 0.9512 0.9136 1.0174 0.9721 1.3569 1.3625 1.3742 0.9744 1.4407 0.9909 1.4025 1.4170 0.9810 0.9834 1.3761 1.3458 1.4398 0.9852 1.4172 0.9666 1.4027 0.9789 1.4177 0.9763 0.9833 0 12 1 12 2 11 2 13 3 11 4 17 4 20 5 6 5 7 5 8 5 9 6 7 6 10 6 26 7 11 7 27 8 28 8 29 8 30 9 31 9 32 9 33 10 12 10 34 13 14 13 35 13 36 14 15 14 16 15 17 15 37 16 18 16 38 17 19 18 19 18 39 19 40 20 21 20 22 21 23 21 41 22 24 22 42 23 25 23 43 24 25 24 44 25 45 -0.022383405 -1958.471810572523 -9.45436 9.13843 -0.31593 6.07439 -7.50890 -1.43451 -28.55204 27.36891 -1.18313 1.88612 4.79413