Orca 4.2.1 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 Cl Cl O O O N N N 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 1 1 2 2 2 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44nClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:2.5591,-.3289,-2.929;-6.9296,-1.3755,1.5618;3.2455,-.3719,1.5301;3.9737,-1.093,-.4495;-2.2208,.0755,-1.6066;3.0212,2.3294,.363;2.1745,2.9736,-.4454;1.8622,3.608,1.6842;3.1907,-.1082,.1535;3.5563,-1.7572,1.727;3.8464,1.2507,-.1172;3.7405,-2.2715,.299;1.7409,-.1259,-.3264;2.48,-2.4785,2.5023;1.3766,-.2032,-1.6686;.7084,.0405,.5917;.0532,-.1671,-2.074;-.6219,.1083,.2165;-.9466,-.0091,-1.1264;2.8126,2.7077,1.6255;1.509,3.7259,.39;-3.2856,-.2778,-.8158;-3.3122,-1.4752,-.1133;-4.3755,.5777,-.7957;-4.4357,-1.8102,.6248;-5.506,.2364,-.0694;-5.5247,-.9521,.6419;4.4999,-1.8055,2.2772;4.0001,1.3984,-1.1834;4.8185,1.2903,.3737;4.5973,-2.9342,.1899;2.8465,-2.7956,-.0599;2.3391,-2.0412,3.4905;2.7715,-3.5203,2.6436;1.5243,-2.4663,1.9768;.9425,.1339,1.6423;-.2039,-.2467,-3.1218;-1.3798,.2562,.9736;3.3804,2.3245,2.4577;.7369,4.3979,.0501;-2.4702,-2.1548,-.1345;-4.3497,1.5063,-1.3504;-4.4568,-2.7412,1.1741;-6.358,.9018,-.0577; 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 Number of auxiliary basis functions 1514 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 210 Dim 1097 ENuc 2776.8190605917 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off 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 LIBINT 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 5.614e-06 Time for diagonalization 0.372 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.264 sec Total time needed 0.640 sec 17 17 8 8 8 7 7 7 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 1 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44nClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:2.5591,-.3289,-2.929;-6.9296,-1.3755,1.5618;3.2455,-.3719,1.5301;3.9737,-1.093,-.4495;-2.2208,.0755,-1.6066;3.0212,2.3294,.363;2.1745,2.9736,-.4454;1.8622,3.608,1.6842;3.1907,-.1082,.1535;3.5563,-1.7572,1.727;3.8464,1.2507,-.1172;3.7405,-2.2715,.299;1.7409,-.1259,-.3264;2.48,-2.4785,2.5023;1.3766,-.2032,-1.6686;.7084,.0405,.5917;.0532,-.1671,-2.074;-.6219,.1083,.2165;-.9466,-.0091,-1.1264;2.8126,2.7077,1.6255;1.509,3.7259,.39;-3.2856,-.2778,-.8158;-3.3122,-1.4752,-.1133;-4.3755,.5777,-.7957;-4.4357,-1.8102,.6248;-5.506,.2364,-.0694;-5.5247,-.9521,.6419;4.4999,-1.8055,2.2772;4.0001,1.3984,-1.1834;4.8185,1.2903,.3737;4.5973,-2.9342,.1899;2.8465,-2.7956,-.0599;2.3391,-2.0412,3.4905;2.7715,-3.5203,2.6436;1.5243,-2.4663,1.9767;.9425,.1339,1.6423;-.2039,-.2467,-3.1218;-1.3798,.2562,.9736;3.3804,2.3245,2.4577;.7369,4.3979,.0501;-2.4702,-2.1548,-.1345;-4.3497,1.5063,-1.3504;-4.4568,-2.7412,1.1741;-6.358,.9018,-.0577; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "WATER" 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44nClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:2.5591,-.3289,-2.929;-6.9296,-1.3755,1.5618;3.2455,-.3719,1.5301;3.9737,-1.093,-.4495;-2.2208,.0755,-1.6066;3.0212,2.3294,.363;2.1745,2.9736,-.4454;1.8622,3.608,1.6842;3.1907,-.1082,.1535;3.5563,-1.7572,1.727;3.8464,1.2507,-.1172;3.7405,-2.2715,.299;1.7409,-.1259,-.3264;2.48,-2.4785,2.5023;1.3766,-.2032,-1.6686;.7084,.0405,.5917;.0532,-.1671,-2.074;-.6219,.1083,.2165;-.9466,-.0091,-1.1264;2.8126,2.7077,1.6255;1.509,3.7259,.39;-3.2856,-.2778,-.8158;-3.3122,-1.4752,-.1133;-4.3755,.5777,-.7957;-4.4357,-1.8102,.6248;-5.506,.2364,-.0694;-5.5247,-.9521,.6419;4.4999,-1.8055,2.2772;4.0001,1.3984,-1.1834;4.8185,1.2903,.3737;4.5973,-2.9342,.1899;2.8465,-2.7956,-.0599;2.3391,-2.0412,3.4905;2.7715,-3.5203,2.6436;1.5243,-2.4663,1.9768;.9425,.1339,1.6423;-.2039,-.2467,-3.1218;-1.3798,.2562,.9736;3.3804,2.3245,2.4577;.7369,4.3979,.0501;-2.4702,-2.1548,-.1345;-4.3497,1.5063,-1.3504;-4.4568,-2.7412,1.1741;-6.358,.9018,-.0577; Epsilon 78.3550 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM Cl O N C H 2.3800 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.4s) GEPOL surface points 1593 GEPOL Volume 2862.8728 GEPOL Surface-area 1393.1779 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.6s -2044.68749062 2776.81906059 -4821.50655121 -8324.70799216 3503.20144095 -0.03328522 -4083.39813848 2038.71064786 2.00293168 105.000119950749 105.000119950749 210.000239901499 -149.990709538358 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 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 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 -2765.3294 -2765.3290 -524.8594 -524.0113 -523.8262 -394.9497 -393.1983 -392.3542 -283.0845 -281.8609 -281.7293 -281.7109 -281.4756 -281.4220 -281.1317 -280.9628 -280.9060 -280.8629 -280.2238 -280.1469 -280.1326 -280.0651 -280.0484 -280.0146 -279.9968 -279.9025 -279.1988 -260.6338 -260.6303 -199.4702 -199.4636 -199.2405 -199.2351 -199.2285 -199.2258 -33.5983 -33.1473 -33.1229 -30.7238 -28.2226 -27.8522 -27.7039 -26.4647 -26.3831 -26.0291 -25.1951 -24.2537 -24.0364 -23.4639 -23.2685 -22.9493 -21.8705 -20.9290 -20.3762 -20.2305 -20.0822 -19.8764 -19.5051 -19.1071 -18.8329 -17.9549 -17.8784 -17.3793 -17.1507 -16.7715 -16.3961 -16.2259 -16.0734 -15.8930 -15.2333 -15.1661 -15.0448 -14.7437 -14.6019 -14.5760 -14.5218 -14.4047 -14.2446 -14.2009 -14.0701 -13.8680 -13.7764 -13.4657 -13.3353 -13.1225 -12.9861 -12.6250 -12.5194 -12.4082 -12.2789 -11.9126 -11.7948 -11.6619 -11.4125 -11.2533 -11.2428 -10.8150 -10.6637 -10.2408 -10.1501 -9.7920 -9.7281 -9.4166 -9.2285 -8.5035 1.0776 1.2229 1.5533 1.7653 2.1796 3.0138 3.0870 3.3446 3.3782 3.8350 4.0617 4.1233 4.3494 4.5502 4.6142 4.6689 4.8282 4.9047 5.0363 5.0667 5.2246 5.2797 5.3327 5.5524 5.6259 5.7130 5.8451 5.8854 5.9098 5.9927 6.1594 6.2564 6.3178 6.4334 6.6121 6.8902 6.9696 7.4178 7.4668 7.5594 7.6332 7.6563 7.7166 7.8553 8.0528 8.2492 8.2710 8.3396 8.4344 8.6406 8.7365 8.7795 8.8502 8.9144 8.9787 9.1102 9.2153 9.2940 9.4030 9.5765 9.8265 9.9454 10.0328 10.1408 10.1696 10.3029 10.4366 10.4622 10.6365 10.7419 10.8955 10.9900 11.1068 11.1646 11.2956 11.3345 11.4302 11.5373 11.6826 11.7389 11.8204 11.9803 12.0341 12.1471 12.1979 12.2223 12.3601 12.4490 12.4601 12.6317 12.7320 12.8359 12.8988 12.9900 13.0837 13.2621 13.3624 13.4202 13.4564 13.6240 13.6476 13.8910 13.9735 14.0355 14.0563 14.1188 14.2216 14.3273 14.3562 14.4794 14.5480 14.5709 14.7277 14.7530 14.9837 14.9944 15.0929 15.1835 15.2913 15.3041 15.6068 15.6602 15.7383 15.8923 15.9900 16.0559 16.1466 16.3152 16.3513 16.6590 16.7882 16.9097 17.0105 17.1298 17.2708 17.4729 17.6228 17.7419 17.9236 17.9800 18.0634 18.1274 18.2395 18.4287 18.5004 18.6309 18.7212 18.9361 19.0900 19.2844 19.5118 19.6076 19.6724 20.0052 20.0354 20.0674 20.1679 20.3304 20.3621 20.6513 20.7739 20.8304 20.8661 21.1269 21.1689 21.2865 21.4914 21.6872 21.7446 21.8316 21.9181 22.1911 22.3580 22.5597 22.8055 22.9222 22.9608 23.0406 23.0670 23.1831 23.3367 23.6107 23.7091 23.9518 24.0974 24.1482 24.2184 24.3967 24.4678 24.6733 24.9499 25.0756 25.2345 25.3862 25.5542 25.6422 25.8473 25.9571 26.0921 26.1261 26.3490 26.5494 26.8041 26.9063 26.9696 27.0846 27.3504 27.6687 27.8048 27.8804 28.1411 28.3240 28.4596 28.6936 28.8475 28.9168 29.0305 29.0953 29.3614 29.3918 29.5620 29.7334 29.7712 30.0607 30.1495 30.2866 30.3173 30.4287 30.6057 30.7493 30.7959 30.9751 31.0896 31.2769 31.6334 31.7268 31.9302 32.0211 32.1974 32.2250 32.5075 32.5874 32.7067 32.9816 33.0392 33.1986 33.4973 33.6980 33.7715 34.0160 34.1195 34.1809 34.3819 34.6298 34.8379 34.9854 35.1517 35.3801 35.4659 35.6087 35.6946 35.9311 36.0589 36.3066 36.3481 36.4872 36.6698 36.8295 36.9687 37.0986 37.2738 37.2904 37.4893 37.5843 37.7150 37.8937 38.1191 38.2179 38.3441 38.4656 38.7888 38.8396 39.0484 39.2612 39.2988 39.3820 39.7101 39.8422 40.0156 40.0988 40.3066 40.4408 40.5185 40.6029 40.7836 40.9197 41.2234 41.3072 41.3853 41.7035 41.8235 41.9378 42.0456 42.1949 42.3271 42.5015 42.6413 42.9284 42.9767 43.0941 43.1852 43.2953 43.4255 43.5395 43.6249 43.7875 43.9302 43.9942 44.2083 44.3441 44.5088 44.6124 44.6401 44.8931 45.0610 45.1160 45.4015 45.5417 45.6699 45.7701 45.9982 46.2012 46.3444 46.4592 46.5114 46.8276 46.8649 47.0404 47.3288 47.6095 47.6753 47.8665 47.9604 48.1014 48.2854 48.5144 48.6546 48.7213 48.9880 49.1359 49.2113 49.3226 49.5831 49.8638 50.1352 50.3217 50.5163 50.6937 50.8572 50.9961 51.0986 51.3030 51.7891 51.9511 52.0816 52.2013 52.3818 52.5839 52.6735 52.7269 52.9495 53.0460 53.4699 53.5512 53.6215 53.8887 53.9640 54.3104 54.4473 54.6518 54.7540 55.0711 55.1896 55.3557 55.4649 55.6736 55.7794 55.9513 56.1871 56.5896 56.7276 56.9153 56.9887 57.1753 57.2187 57.7010 57.8507 58.0160 58.2017 58.4733 58.6673 58.8253 59.1415 59.2793 59.4625 59.6487 59.8228 59.8755 59.9255 60.4096 60.6278 60.7063 60.8067 61.0706 61.2272 61.3236 61.6239 61.8978 62.1761 62.2445 62.5102 62.8377 62.9104 63.1582 63.3527 63.5374 64.0725 64.1594 64.2598 64.4588 64.5194 64.6115 64.7935 64.9943 65.1712 65.2036 65.4872 65.7699 65.8957 65.9526 66.1428 66.4453 66.6190 66.7397 66.8252 66.9315 67.2089 67.4189 67.5681 67.9404 68.0578 68.1324 68.2876 68.6963 69.2729 69.4093 69.5884 69.7404 69.9245 70.1191 70.4547 71.1673 71.3382 71.7808 72.0338 72.5547 72.6602 72.8369 73.3215 73.7025 73.9637 74.1954 74.3514 74.4663 74.7424 75.0596 75.1466 75.4222 75.4821 75.7780 75.8824 76.2708 76.5903 76.7582 76.9139 77.0569 77.1576 77.3490 77.4009 77.6633 77.6844 77.8327 78.0688 78.2374 78.5245 78.5556 78.7985 78.9958 79.1118 79.2401 79.3891 79.4772 79.6340 79.8435 79.9359 80.1069 80.3412 80.5887 80.7335 80.9095 81.0763 81.1670 81.2726 81.4745 81.6116 81.6812 81.6951 82.0880 82.1900 82.3891 82.4986 82.5695 82.7011 82.8738 83.0235 83.2163 83.3477 83.5047 83.5652 83.7190 83.7802 83.7990 84.0346 84.2002 84.4979 84.5755 84.7117 84.9629 85.1105 85.1704 85.2001 85.2606 85.3653 85.7752 85.9652 86.0460 86.2271 86.3187 86.5619 86.7737 86.8464 87.0288 87.1781 87.2687 87.3970 87.6235 87.7786 87.9516 88.0497 88.1189 88.3866 88.4957 88.5957 88.6780 88.8819 88.9324 89.1002 89.1409 89.5294 89.6127 89.8360 89.9357 89.9833 90.1418 90.1974 90.3046 90.4762 90.5068 90.7390 90.9240 91.0603 91.3281 91.4861 91.6555 91.7255 91.8324 91.9591 92.0620 92.2519 92.3567 92.5074 92.7511 92.8518 92.9291 93.0368 93.4116 93.4540 93.6945 93.8739 93.9710 94.1131 94.3379 94.4418 94.6659 94.6990 94.8997 95.0762 95.1279 95.2200 95.4008 95.7367 95.8617 96.0581 96.2369 96.3566 96.4390 96.6553 96.8430 97.0352 97.0951 97.1146 97.4632 97.5389 97.6210 97.7280 97.8665 97.9564 98.0032 98.2788 98.4268 98.6053 98.6225 98.8712 98.9172 99.2223 99.3894 99.5343 99.6692 99.8641 100.2724 100.3462 100.5346 100.7148 100.8394 100.9553 101.1190 101.3022 101.6961 101.8031 101.9813 102.0737 102.1670 102.5430 102.6125 102.8085 102.8415 103.1421 103.3728 103.5863 103.7790 104.1234 104.1739 104.2789 104.4782 104.6911 105.0953 105.1356 105.2206 105.4727 105.5121 105.8090 105.8230 105.9868 106.1383 106.2436 106.4929 106.6386 106.8453 106.9053 106.9384 107.2012 107.3756 107.4553 107.7197 107.7773 107.9898 108.1209 108.2311 108.6007 108.6896 108.8359 108.9442 109.0794 109.2048 109.4218 109.7291 109.9649 110.1421 110.3254 110.5880 110.6690 110.8076 110.9831 111.1624 111.3570 111.5489 111.8893 112.1809 112.3120 112.5067 112.5642 112.8450 113.0279 113.1397 113.4365 113.5819 113.8505 114.0374 114.0843 114.2077 114.4245 114.6039 114.7397 114.9524 114.9944 115.2566 115.4529 115.5337 115.6310 115.7897 116.0503 116.3213 116.4429 116.6849 117.0239 117.0499 117.1108 117.5879 117.6796 117.8679 117.9739 118.1820 118.4100 118.5458 118.8517 118.9769 119.1230 119.2539 119.4987 119.5790 119.8955 119.9249 120.1562 120.3355 120.4977 120.6642 120.9060 120.9443 121.0346 121.2933 121.4330 121.5231 121.8298 122.0608 122.3922 122.6150 122.8966 123.1231 123.2747 123.5589 124.0533 124.4556 124.7502 125.3454 125.6445 126.1435 126.2204 126.2629 126.3499 126.5467 127.0581 127.3324 127.5740 128.1175 128.3477 128.5565 128.6426 128.9696 129.1560 129.8173 129.9886 130.2413 130.4496 130.5824 130.7045 131.0217 131.2649 131.4547 131.5916 131.7511 131.8416 132.0187 132.1045 132.2247 132.5008 132.6083 133.0034 133.3210 133.5009 133.6989 133.8775 134.0321 134.3937 134.5360 134.6009 135.2262 135.4142 135.7531 135.8844 136.1297 136.4518 136.7182 137.2368 137.3059 137.5172 137.8219 138.1277 138.2245 138.3876 138.5928 138.8472 139.0537 139.5006 139.6141 139.7518 139.7692 140.1094 140.6798 141.3231 141.5895 141.7919 142.0002 142.4768 142.7399 142.9312 143.3812 143.4931 143.8114 144.1709 144.3838 144.5142 144.9380 144.9537 145.3283 145.9167 146.0950 146.5276 146.6753 146.9105 147.3962 147.4561 147.7409 147.8231 147.9254 148.0400 148.2569 148.4766 148.6875 149.0946 149.3214 149.6461 150.2652 150.4617 150.6303 151.1025 151.2084 151.5458 151.9564 152.2499 152.6746 152.9082 152.9900 153.5046 153.8865 154.3430 154.5941 154.8240 154.8846 155.2136 155.9099 156.2817 156.3210 156.4532 156.5699 156.6230 156.9785 157.3157 157.4993 157.7510 158.0358 158.4344 158.7177 159.1280 159.6172 159.7460 160.2436 160.4760 160.7728 161.8000 162.2518 163.0014 164.6442 165.7398 166.5214 167.1246 168.2184 168.4418 169.2117 170.1515 170.7032 171.3870 171.9564 172.4076 172.7459 173.3789 174.6358 175.9659 177.0688 178.3621 179.8163 182.6380 183.2207 186.1882 188.2849 188.4698 189.2208 190.5345 191.1063 193.2150 194.5944 194.9692 196.6933 198.0372 201.3238 201.7271 204.0744 205.3385 206.5917 208.4792 221.5433 222.8094 222.9566 223.3977 224.5782 224.7343 227.1931 228.3434 229.5275 230.3321 294.7881 295.6852 297.2995 299.7987 312.4011 313.3334 614.2514 616.3297 625.9515 628.4071 628.6101 631.8529 631.9808 634.3391 634.7256 635.9520 636.5990 636.8892 639.6664 641.0665 643.2700 648.2502 649.7600 653.7108 654.5038 712.0850 716.6940 878.8648 883.8770 901.5835 1214.4408 1214.5457 1218.0159 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 Cl Cl O O O N N N 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 -0.081201 -0.100570 -0.406890 -0.369957 -0.330742 0.109197 -0.337100 -0.408592 0.604052 0.135016 -0.084742 0.001044 -0.137971 -0.290362 0.036855 -0.182760 -0.232938 -0.224617 0.294967 0.059490 0.056639 0.297989 -0.208873 -0.253558 -0.122537 -0.106845 0.063779 0.085330 0.127080 0.131824 0.117967 0.085250 0.097893 0.107351 0.084433 0.158405 0.127308 0.155923 0.170158 0.161607 0.161198 0.152804 0.149203 0.147491 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 Cl Cl O O O N N N 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 17.0812 17.1006 8.4069 8.3700 8.3307 6.8908 7.3371 7.4086 5.3959 5.8650 6.0847 5.9990 6.1380 6.2904 5.9631 6.1828 6.2329 6.2246 5.7050 5.9405 5.9434 5.7020 6.2089 6.2536 6.1225 6.1068 5.9362 0.9147 0.8729 0.8682 0.8820 0.9148 0.9021 0.8926 0.9156 0.8416 0.8727 0.8441 0.8298 0.8384 0.8388 0.8472 0.8508 0.8525 17.0000 17.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 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 -0.0812 -0.1006 -0.4069 -0.3700 -0.3307 0.1092 -0.3371 -0.4086 0.6041 0.1350 -0.0847 0.0010 -0.1380 -0.2904 0.0369 -0.1828 -0.2329 -0.2246 0.2950 0.0595 0.0566 0.2980 -0.2089 -0.2536 -0.1225 -0.1068 0.0638 0.0853 0.1271 0.1318 0.1180 0.0852 0.0979 0.1074 0.0844 0.1584 0.1273 0.1559 0.1702 0.1616 0.1612 0.1528 0.1492 0.1475 1.2401 1.2029 1.9667 2.0045 2.0779 3.3674 2.8843 3.0299 3.8225 3.9228 3.8339 3.9421 3.5524 3.9511 3.9491 3.8769 4.1407 4.0172 3.7705 4.0678 4.0463 3.6718 3.9724 4.0490 3.9555 3.9417 3.8393 1.0023 1.0270 1.0185 0.9954 1.0028 1.0046 1.0064 1.0012 1.0155 1.0281 0.9981 1.0077 0.9964 0.9939 1.0045 1.0023 1.0012 1.2401 1.2029 1.9667 2.0045 2.0779 3.3674 2.8843 3.0299 3.8225 3.9228 3.8339 3.9421 3.5524 3.9511 3.9491 3.8769 4.1407 4.0172 3.7705 4.0678 4.0463 3.6718 3.9724 4.0490 3.9555 3.9417 3.8393 1.0023 1.0270 1.0185 0.9954 1.0028 1.0046 1.0064 1.0012 1.0155 1.0281 0.9981 1.0077 0.9964 0.9939 1.0045 1.0023 1.0012 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.0574 0.1081 1.0031 0.9280 0.9499 1.0304 0.9522 0.9696 0.9091 1.0598 0.8633 1.3575 1.6451 1.5882 1.3731 0.8955 0.8905 0.9493 0.9602 0.9916 0.9984 0.9903 0.9703 1.0071 1.3136 1.2274 0.9927 0.9848 0.9798 1.4687 1.4934 0.9886 1.4083 0.9691 1.3592 0.9663 0.9561 0.9647 1.3489 1.3891 1.4386 0.9697 1.4325 0.9840 1.3719 0.9746 1.3671 0.9794 0 14 0 16 1 26 2 8 2 9 3 8 3 11 4 18 4 21 5 6 5 10 5 19 6 20 7 19 7 20 8 10 8 12 9 11 9 13 9 27 10 28 10 29 11 30 11 31 12 14 12 15 13 32 13 33 13 34 14 16 15 17 15 35 16 18 16 36 17 18 17 37 19 38 20 39 21 22 21 23 22 24 22 40 23 25 23 41 24 26 24 42 25 26 25 43 -0.025929842 -2044.713420461763 18.35734 -17.39132 0.96603 -5.57954 3.59581 -1.98373 12.57554 -11.68193 0.89362 2.38054 6.05085