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:2.5056,.9453,.2175;4.9469,-.44,.893;-1.3986,-1.8712,.2343;-1.3344,-3.8767,1.2144;-2.1753,2.9034,-1.0641;1.0047,-3.0156,-1.3763;1.3888,-1.9252,-.4164;.5954,-3.1187,.0767;2.0407,-4.011,-1.8436;-.0069,-2.685,-2.4474;2.7649,-1.7329,.0552;-.7992,-3.0159,.5707;3.3202,-.5619,.344;-2.7384,-1.6854,.6674;-3.2617,-.391,.114;-2.4186,.6685,-.1973;-4.635,-.2486,-.0524;-2.9562,1.8574,-.6765;-5.1595,.9438,-.5233;-4.3262,2.004,-.8373;-1.0403,3.2149,-.3733;-1.0082,3.2551,1.0155;.0812,3.5582,-1.1137;.1592,3.6386,1.6562;1.2387,3.9527,-.4599;1.2856,3.9899,.9259;.8181,-1.0119,-.5282;1.1468,-3.8616,.6422;1.5535,-4.913,-2.2165;2.6359,-3.5931,-2.6571;2.7257,-4.321,-1.0556;-.7017,-1.9016,-2.1549;.51,-2.345,-3.3461;-.5885,-3.5685,-2.7169;3.3876,-2.6082,.192;-3.3652,-2.5186,.3398;-2.7715,-1.6731,1.7614;-1.3471,.5733,-.0772;-5.2969,-1.0739,.1801;-6.2286,1.049,-.6512;-4.7247,2.9369,-1.2133;-1.8868,2.9952,1.592;.038,3.5226,-2.1942;.1839,3.6694,2.7374;2.111,4.2233,-1.0399;2.1921,4.2902,1.4331; 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 2604.1280936018 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 6.407e-06 Time for diagonalization 0.354 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.321 sec Total time needed 0.683 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:2.5056,.9453,.2174;4.9469,-.44,.893;-1.3986,-1.8712,.2343;-1.3344,-3.8767,1.2144;-2.1753,2.9034,-1.0641;1.0047,-3.0156,-1.3763;1.3888,-1.9252,-.4164;.5954,-3.1187,.0767;2.0407,-4.011,-1.8436;-.0069,-2.685,-2.4474;2.7649,-1.7329,.0552;-.7992,-3.0159,.5707;3.3202,-.5619,.344;-2.7384,-1.6854,.6674;-3.2617,-.391,.114;-2.4186,.6685,-.1973;-4.635,-.2486,-.0524;-2.9562,1.8574,-.6765;-5.1595,.9438,-.5233;-4.3262,2.004,-.8373;-1.0403,3.2149,-.3733;-1.0082,3.2551,1.0155;.0812,3.5582,-1.1137;.1592,3.6386,1.6562;1.2387,3.9527,-.4599;1.2856,3.9899,.9259;.8181,-1.0119,-.5282;1.1468,-3.8616,.6422;1.5535,-4.9129,-2.2165;2.6359,-3.5931,-2.6571;2.7257,-4.321,-1.0556;-.7017,-1.9016,-2.1549;.51,-2.345,-3.3461;-.5885,-3.5685,-2.7169;3.3876,-2.6082,.192;-3.3652,-2.5186,.3398;-2.7715,-1.6731,1.7614;-1.3471,.5733,-.0772;-5.2969,-1.0739,.1801;-6.2286,1.049,-.6512;-4.7247,2.9369,-1.2133;-1.8868,2.9952,1.592;.038,3.5226,-2.1942;.1839,3.6694,2.7374;2.111,4.2233,-1.0399;2.1921,4.2902,1.4332; 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 4 371.1288999999997 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:2.5056,.9453,.2175;4.9469,-.44,.893;-1.3986,-1.8712,.2343;-1.3344,-3.8767,1.2144;-2.1753,2.9034,-1.0641;1.0047,-3.0156,-1.3763;1.3888,-1.9252,-.4164;.5954,-3.1187,.0767;2.0407,-4.011,-1.8436;-.0069,-2.685,-2.4474;2.7649,-1.7329,.0552;-.7992,-3.0159,.5707;3.3202,-.5619,.344;-2.7384,-1.6854,.6674;-3.2617,-.391,.114;-2.4186,.6685,-.1973;-4.635,-.2486,-.0524;-2.9562,1.8574,-.6765;-5.1595,.9438,-.5233;-4.3262,2.004,-.8373;-1.0403,3.2149,-.3733;-1.0082,3.2551,1.0155;.0812,3.5582,-1.1137;.1592,3.6386,1.6562;1.2387,3.9527,-.4599;1.2856,3.9899,.9259;.8181,-1.0119,-.5282;1.1468,-3.8616,.6422;1.5535,-4.913,-2.2165;2.6359,-3.5931,-2.6571;2.7257,-4.321,-1.0556;-.7017,-1.9016,-2.1549;.51,-2.345,-3.3461;-.5885,-3.5685,-2.7169;3.3876,-2.6082,.192;-3.3652,-2.5186,.3398;-2.7715,-1.6731,1.7614;-1.3471,.5733,-.0772;-5.2969,-1.0739,.1801;-6.2286,1.049,-.6512;-4.7247,2.9369,-1.2133;-1.8868,2.9952,1.592;.038,3.5226,-2.1942;.1839,3.6694,2.7374;2.111,4.2233,-1.0399;2.1921,4.2902,1.4331; -1958.42414471 2604.12809360 -4562.55223831 -7861.12446217 3298.57222386 -3911.04061509 1952.61647038 2.00297430 102.000199293039 102.000199293039 204.000398586079 -143.516614166863 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 -2765.5927 -2765.5494 -524.8454 -524.5752 -522.9621 -283.3489 -282.8061 -281.6599 -281.5803 -281.5534 -280.8085 -280.4945 -280.4600 -280.4365 -280.3792 -280.0321 -279.9549 -279.9396 -279.9014 -279.8792 -279.8438 -279.8286 -279.8227 -279.7662 -279.7576 -279.6101 -260.8553 -260.8172 -199.6995 -199.6615 -199.4492 -199.4430 -199.4101 -199.4061 -33.7612 -32.9977 -31.1288 -28.4222 -27.7926 -27.1122 -26.6987 -25.9463 -24.8923 -24.2299 -24.1257 -23.7793 -23.5475 -23.2283 -22.5561 -22.3097 -21.0063 -20.6063 -19.9390 -19.6390 -19.0365 -18.9250 -18.5462 -18.1946 -17.8076 -17.0376 -16.7750 -16.6409 -16.3922 -16.2793 -16.0295 -15.8908 -15.8667 -15.5531 -15.0296 -14.9531 -14.8831 -14.7903 -14.4326 -14.4090 -14.2921 -14.1558 -13.9819 -13.7975 -13.7500 -13.5353 -13.3472 -13.1437 -12.9954 -12.8546 -12.6870 -12.5110 -12.4844 -12.1723 -11.9618 -11.8999 -11.7347 -11.6982 -11.6158 -11.2010 -11.1269 -10.6520 -10.2715 -9.6671 -9.4390 -9.3016 -8.8512 -8.4751 1.2133 1.3993 1.4456 1.7459 2.0201 2.3981 2.5472 2.8937 3.1751 3.4765 3.6417 3.7630 3.9294 4.2094 4.2807 4.3539 4.4135 4.5531 4.6524 4.8727 4.9731 5.0352 5.0900 5.1993 5.3577 5.4009 5.5901 5.7289 5.8911 6.0353 6.1326 6.2063 6.2338 6.4844 6.5542 6.6545 6.7359 6.9213 7.0770 7.2434 7.3885 7.5695 7.5960 7.6530 7.7983 7.8082 7.9728 8.1002 8.1784 8.2596 8.3409 8.4300 8.5097 8.6186 8.6605 8.7981 9.0076 9.1211 9.1474 9.2988 9.3386 9.5176 9.6181 9.7713 9.7969 10.0308 10.0666 10.3235 10.3837 10.4811 10.6393 10.6735 10.8138 10.9549 11.0641 11.1607 11.2142 11.2816 11.4107 11.5063 11.5664 11.6217 11.7484 11.8384 11.9874 12.0226 12.1539 12.1763 12.2215 12.2981 12.4673 12.5742 12.6470 12.7387 12.8168 12.8362 12.9463 13.0777 13.1395 13.3188 13.3927 13.4246 13.4712 13.6199 13.7231 13.8180 13.9410 13.9597 14.0107 14.1453 14.2832 14.2971 14.4740 14.6459 14.7259 14.8425 14.8757 15.0434 15.1005 15.1804 15.3049 15.3774 15.4373 15.4790 15.6130 15.6612 15.8102 15.8738 15.9864 16.0725 16.2296 16.3378 16.3794 16.4643 16.5144 16.7406 16.8624 17.0097 17.1210 17.1471 17.2851 17.5555 17.5665 17.8434 17.9684 18.0363 18.1483 18.4898 18.6316 18.7078 18.8395 19.1016 19.1652 19.2665 19.3091 19.4423 19.6119 19.7684 19.8984 20.0575 20.1273 20.2532 20.4352 20.5200 20.6130 20.7664 20.9283 21.1557 21.1884 21.2618 21.4223 21.5316 21.6573 21.8093 21.8752 22.0256 22.1695 22.3496 22.4095 22.5760 22.6615 22.9344 23.1666 23.2897 23.3223 23.4434 23.6319 23.7610 23.8297 23.9974 24.1151 24.2352 24.3831 24.4239 24.5446 24.8098 24.9407 25.1055 25.1857 25.4101 25.5942 25.6689 25.8031 25.9748 26.1692 26.4805 26.6095 26.9018 27.0155 27.1431 27.3721 27.4144 27.5969 27.7043 27.9655 28.0132 28.1593 28.2023 28.3720 28.5679 28.6289 28.8405 29.0229 29.1594 29.2649 29.3719 29.4843 29.6642 29.7318 30.0042 30.0678 30.1337 30.3546 30.5491 30.6181 30.7388 30.8993 31.0030 31.1239 31.2768 31.3362 31.5191 31.7959 31.9319 32.0764 32.1321 32.2563 32.3628 32.5159 32.7844 32.9487 32.9885 33.1018 33.1900 33.3628 33.4914 33.6706 33.9493 34.0117 34.1387 34.3236 34.4264 34.5972 34.8538 34.9591 35.1281 35.1962 35.4362 35.6269 35.6327 35.7489 35.8987 36.0209 36.3151 36.4410 36.5617 36.6700 36.8067 36.9535 37.1716 37.2900 37.4498 37.5169 37.5990 37.7552 37.9387 38.0543 38.1149 38.3126 38.3970 38.4207 38.6930 38.8301 38.9431 39.1853 39.2388 39.3040 39.5011 39.6568 39.8507 40.0346 40.1620 40.2502 40.4675 40.5733 40.7003 40.8663 40.9982 41.0837 41.3848 41.4754 41.6535 41.7842 42.0107 42.1033 42.2253 42.4985 42.6672 42.7079 42.9055 42.9800 43.1528 43.3520 43.4977 43.5573 43.6671 43.8139 43.9428 44.1584 44.2490 44.2834 44.3266 44.6002 44.7753 45.0710 45.1976 45.2287 45.4826 45.5270 45.5666 45.7363 45.8017 45.9144 46.1572 46.1743 46.4244 46.7430 46.9628 47.0342 47.0761 47.5747 47.6917 47.7885 47.9802 48.0882 48.1740 48.4986 48.7067 48.8105 48.8833 49.1936 49.2900 49.4714 49.9239 49.9729 50.2577 50.3230 50.4781 50.7239 50.8273 51.1307 51.2878 51.3091 51.4902 51.5318 51.8643 52.0029 52.0913 52.3478 52.4717 52.5912 52.9788 53.0514 53.0827 53.2989 53.5180 53.6977 53.9383 54.4647 54.7661 54.8063 55.0009 55.2336 55.4687 55.7416 55.8674 56.1441 56.2116 56.2899 56.5968 56.7628 56.9735 57.0717 57.1134 57.3128 57.5647 57.7146 57.7828 57.8192 58.0835 58.2005 58.5909 58.8955 58.9369 59.0349 59.1909 59.2880 59.4390 59.7639 59.8999 59.9644 60.1603 60.3026 60.4311 60.7515 60.9574 61.3842 62.0193 62.2111 62.3215 62.5306 63.0295 63.1449 63.2648 63.3538 63.5546 63.6761 63.7681 63.8896 64.1579 64.2827 64.4955 64.6393 65.0406 65.3313 65.5766 65.6822 65.9215 66.1418 66.3004 66.3517 66.4727 66.7328 66.7529 67.1516 67.5159 67.6347 67.8149 67.9181 68.1405 68.4005 68.4810 68.6676 68.8944 68.9460 69.4756 69.9091 70.0334 70.2306 70.5942 70.8982 71.1874 71.3667 72.0869 72.1937 72.3139 72.6205 73.0469 73.1492 73.3090 73.5031 74.0057 74.0760 74.1128 74.4425 74.9122 75.0288 75.0926 75.3217 75.4504 75.9120 76.0710 76.3159 76.4325 76.5800 76.6417 76.8535 76.8957 77.1722 77.2746 77.4568 77.5806 77.7261 77.8436 77.8948 78.0090 78.4792 78.5665 78.6901 78.8358 78.9793 79.0631 79.1300 79.4593 79.4769 79.7417 79.7795 79.9491 79.9928 80.1513 80.3556 80.4487 80.6385 80.8935 80.9872 81.4592 81.6081 81.7774 81.9000 82.0360 82.1228 82.3469 82.5074 82.5163 82.7234 82.8229 82.9361 83.0423 83.2692 83.3490 83.4792 83.5281 83.7568 83.9055 84.2065 84.2529 84.3348 84.4692 84.4989 84.7430 84.9041 85.0442 85.1728 85.2913 85.3832 85.5610 85.6401 85.8810 85.9848 86.1389 86.2592 86.2742 86.3367 86.4969 86.5729 86.7390 86.8543 87.0693 87.2058 87.4552 87.5667 87.6171 87.8486 87.9853 88.0878 88.1241 88.2259 88.3775 88.6254 88.7442 88.8300 89.0886 89.1659 89.2074 89.3642 89.4622 89.5614 89.7328 89.8276 89.9432 90.2215 90.4465 90.5379 90.6062 90.6326 90.7714 90.9693 91.1528 91.5096 91.6278 91.7389 92.0853 92.1527 92.3624 92.4061 92.4554 92.5361 92.6266 92.7291 92.8271 93.1559 93.2467 93.3684 93.4996 93.5865 93.7066 93.7279 93.8739 93.9411 94.0874 94.2575 94.2848 94.4551 94.6046 94.6939 94.9940 95.1282 95.1796 95.4579 95.5404 95.6027 95.9091 96.0432 96.1849 96.2175 96.3538 96.4640 96.6789 96.8165 96.9939 97.1023 97.1140 97.3320 97.6782 97.7914 97.9377 97.9842 98.1405 98.2808 98.3655 98.5369 98.6844 98.6995 98.8660 98.8977 99.1141 99.1868 99.3521 99.6574 99.9400 100.2450 100.3690 100.5486 100.7247 100.9510 101.1777 101.3876 101.4785 101.7555 101.8950 102.1190 102.3198 102.3580 102.6206 102.7865 103.3193 103.3771 103.4614 103.6081 104.0454 104.1548 104.4160 104.4685 104.7379 104.8573 105.0309 105.1641 105.2900 105.3803 105.4973 105.5473 105.6885 105.8908 105.9447 106.0581 106.1843 106.2682 106.5514 106.6308 106.9188 107.1459 107.3160 107.3960 107.7325 107.8373 107.9766 108.2657 108.3463 108.4271 108.7293 108.8486 109.0005 109.1915 109.3390 109.5110 109.6259 109.8112 109.9835 110.1868 110.4277 110.6287 110.8354 110.8921 111.1434 111.1930 111.3449 111.5064 111.6571 111.8802 112.0795 112.4167 112.6511 112.8971 112.9993 113.0984 113.3555 113.5303 113.9151 114.1010 114.2132 114.3909 114.5957 114.6615 114.7551 114.9258 114.9567 115.3772 115.4788 115.7977 115.9215 116.1205 116.2697 116.4578 116.6528 116.7059 116.8107 116.8539 117.1132 117.3233 117.3965 117.4222 117.5455 117.6656 117.8937 118.0442 118.1735 118.2472 118.3084 118.4967 118.5797 118.7338 118.8456 119.0710 119.1543 119.5536 119.7204 119.8534 120.0647 120.2300 120.3621 120.5645 120.6088 120.7095 120.9246 121.1593 121.4042 121.6766 121.9164 122.0217 122.2010 122.4933 122.5244 122.7519 122.8019 123.0065 123.3342 123.5935 123.9636 124.2569 124.7108 125.2726 125.5734 125.8435 125.9244 126.3509 126.4501 126.5597 126.7716 127.6193 127.7737 128.2003 128.6327 128.8520 129.0493 129.0911 129.2382 129.4342 129.6352 129.8651 130.0355 130.2753 130.5047 130.6254 130.7896 130.9028 131.0856 131.2695 131.4072 131.5761 131.6001 132.0272 132.2180 132.2969 132.7785 132.8461 133.0279 133.4802 133.6217 133.9425 134.3602 134.5284 134.9940 135.1163 135.2660 135.5648 135.8083 136.4221 136.7220 136.9283 137.3926 137.8439 138.0895 138.1554 138.1964 138.4703 138.8281 139.1374 139.4306 139.6889 139.8407 140.1631 140.4562 140.9305 141.1852 141.4300 141.8725 142.4504 143.0539 143.2404 143.6343 143.9847 144.2144 144.2561 144.6009 144.6726 144.8423 145.0067 145.3196 145.4161 145.7792 146.2564 146.4428 146.4591 147.1099 147.2878 147.7393 147.9436 148.1847 148.2472 148.3833 148.4795 148.9744 149.2435 149.6067 149.8793 150.0645 150.3234 150.7891 150.8855 151.2489 151.4223 151.9148 152.1556 152.4182 152.6356 153.1731 153.4500 153.6254 154.0682 154.4080 154.7435 155.4470 155.8271 156.0042 156.3936 156.6170 157.1786 157.3261 157.4093 158.2917 158.5196 158.7787 159.0882 159.5575 160.0225 160.2832 161.4285 161.9980 162.4935 162.8783 163.4527 163.8613 164.3547 167.0169 168.2563 168.6781 169.5818 171.7654 172.5213 173.1080 173.5072 174.6271 176.0537 176.7501 177.5430 179.5291 180.8393 181.8916 185.3069 187.1353 187.3951 187.7921 188.4884 189.8567 192.1525 193.1081 193.4912 195.8004 196.3407 198.9212 202.1913 206.2468 206.6072 207.7677 221.4321 222.0358 222.5944 223.2143 223.3001 224.5338 226.0459 226.4146 228.2533 229.8842 294.6614 296.1871 296.5788 298.9525 309.4376 314.9353 610.1324 618.7183 620.5995 624.8563 629.3275 631.1971 632.2644 634.1474 634.4561 635.3877 635.6679 636.1541 636.6661 637.0708 639.3702 640.3016 644.5079 646.8952 650.1429 657.3458 658.2776 703.8274 712.4506 1198.4183 1210.8730 1215.0780 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 -0.040502 -0.053089 -0.277890 -0.351854 -0.298423 0.067492 0.086009 -0.068863 -0.255362 -0.242406 -0.220486 0.321125 0.059297 0.052843 0.056734 -0.187266 -0.200674 0.232547 -0.092529 -0.209636 0.239195 -0.159405 -0.184758 -0.079423 -0.132052 -0.175697 0.061621 0.081406 0.094951 0.097733 0.073831 0.086460 0.088283 0.092862 0.094456 0.099786 0.111047 0.126606 0.109751 0.125123 0.125937 0.130550 0.125247 0.127908 0.131010 0.130504 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 17.0405 17.0531 8.2779 8.3519 8.2984 5.9325 5.9140 6.0689 6.2554 6.2424 6.2205 5.6789 5.9407 5.9472 5.9433 6.1873 6.2007 5.7675 6.0925 6.2096 5.7608 6.1594 6.1848 6.0794 6.1321 6.1757 0.9384 0.9186 0.9050 0.9023 0.9262 0.9135 0.9117 0.9071 0.9055 0.9002 0.8890 0.8734 0.8902 0.8749 0.8741 0.8695 0.8748 0.8721 0.8690 0.8695 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 -0.0405 -0.0531 -0.2779 -0.3519 -0.2984 0.0675 0.0860 -0.0689 -0.2554 -0.2424 -0.2205 0.3211 0.0593 0.0528 0.0567 -0.1873 -0.2007 0.2325 -0.0925 -0.2096 0.2392 -0.1594 -0.1848 -0.0794 -0.1321 -0.1757 0.0616 0.0814 0.0950 0.0977 0.0738 0.0865 0.0883 0.0929 0.0945 0.0998 0.1110 0.1266 0.1098 0.1251 0.1259 0.1305 0.1252 0.1279 0.1310 0.1305 1.3083 1.2536 2.1098 2.1561 2.1101 3.7640 3.7936 3.8375 3.9185 3.9165 3.9374 4.2868 4.2466 3.8390 3.7138 3.9192 4.0231 3.8280 3.9573 4.0367 3.8113 3.9470 3.9955 3.9084 3.8723 3.9004 1.0238 1.0322 1.0035 1.0015 1.0108 1.0163 1.0032 1.0019 1.0321 1.0038 0.9936 1.0194 1.0112 0.9996 1.0129 1.0044 1.0126 0.9983 1.0007 1.0018 1.3083 1.2536 2.1098 2.1561 2.1101 3.7640 3.7936 3.8375 3.9185 3.9165 3.9374 4.2868 4.2466 3.8390 3.7138 3.9192 4.0231 3.8280 3.9573 4.0367 3.8113 3.9470 3.9955 3.9084 3.8723 3.9004 1.0238 1.0322 1.0035 1.0015 1.0108 1.0163 1.0032 1.0019 1.0321 1.0038 0.9936 1.0194 1.0112 0.9996 1.0129 1.0044 1.0126 0.9983 1.0007 1.0018 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.2058 1.1485 1.1495 0.8946 2.0096 0.9760 0.9510 0.8978 0.8890 0.9568 0.9559 0.8840 1.0268 0.9948 1.0386 1.0065 0.9875 0.9956 0.9886 0.9832 0.9897 0.9948 1.8723 0.9498 0.9244 0.9963 0.9760 1.3692 1.4044 1.3767 0.9583 1.4596 0.9756 1.4220 1.4428 0.9774 0.9713 1.3707 1.4175 1.4343 0.9648 1.4178 0.9769 1.4107 0.9737 1.3833 0.9974 0.9955 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 -0.024733318 -1958.448878026486 -19.17984 19.04978 -0.13006 -10.98842 10.98080 -0.00762 -10.77813 10.29988 -0.47825 0.49568 1.25991