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:.5367,-.2579,2.033;-7.473,-1.0614,.9934;3.2032,-.0903,.8183;3.4846,.6203,-1.2658;-2.3996,-1.48,-1.9053;3.689,2.6979,.6334;4.4205,3.3966,-.2385;5.5262,3.1562,1.6993;2.5939,.6554,-.1907;4.003,-1.1047,.2139;2.4305,2.1028,.2705;4.0724,-.6695,-1.2572;1.2334,.0842,-.591;3.4147,-2.4837,.4099;.2746,-.3486,.3223;.8946,.0066,-1.9399;-.947,-.8672,-.0798;-.3204,-.4931,-2.3707;-1.2393,-.9379,-1.4338;4.364,2.5561,1.7742;5.502,3.6514,.4478;-3.5604,-1.3543,-1.1827;-3.9617,-.1353,-.6528;-4.3581,-2.4796,-1.0528;-5.1681,-.0473,.0224;-5.5717,-2.3893,-.3883;-5.9643,-1.175,.1504;4.9889,-1.0571,.6818;1.76,2.1476,1.1273;1.9843,2.699,-.523;5.0926,-.5889,-1.6291;3.5222,-1.359,-1.9072;3.3359,-2.7337,1.4676;4.0607,-3.2281,-.058;2.4248,-2.5696,-.0399;1.5984,.3509,-2.6845;-1.6518,-1.2146,.6637;-.5496,-.5404,-3.4268;3.9715,2.032,2.6303;6.3132,4.2243,.0268;-3.3499,.7506,-.7629;-4.0398,-3.425,-1.4715;-5.4817,.9009,.4361;-6.1956,-3.2664,-.2881; 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 2719.6615465563 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 6.216e-06 Time for diagonalization 0.382 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.259 sec Total time needed 0.646 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:.5367,-.2579,2.033;-7.473,-1.0614,.9934;3.2032,-.0903,.8183;3.4846,.6203,-1.2658;-2.3996,-1.48,-1.9053;3.6891,2.6979,.6334;4.4205,3.3966,-.2385;5.5262,3.1562,1.6993;2.5939,.6554,-.1907;4.003,-1.1047,.2139;2.4305,2.1028,.2705;4.0724,-.6695,-1.2572;1.2334,.0842,-.591;3.4147,-2.4837,.4099;.2746,-.3486,.3223;.8946,.0066,-1.9399;-.947,-.8672,-.0798;-.3204,-.4931,-2.3707;-1.2393,-.9379,-1.4338;4.364,2.5561,1.7742;5.502,3.6514,.4478;-3.5604,-1.3543,-1.1827;-3.9617,-.1353,-.6528;-4.3581,-2.4796,-1.0528;-5.1681,-.0473,.0224;-5.5717,-2.3893,-.3883;-5.9643,-1.175,.1504;4.9889,-1.0571,.6818;1.76,2.1476,1.1273;1.9843,2.699,-.523;5.0926,-.5889,-1.6291;3.5222,-1.359,-1.9072;3.3359,-2.7337,1.4676;4.0607,-3.2281,-.058;2.4248,-2.5696,-.0399;1.5984,.3509,-2.6845;-1.6518,-1.2146,.6637;-.5496,-.5404,-3.4268;3.9715,2.032,2.6303;6.3132,4.2243,.0268;-3.3499,.7506,-.7629;-4.0398,-3.425,-1.4715;-5.4817,.9009,.4361;-6.1956,-3.2664,-.2881; 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:.5367,-.2579,2.033;-7.473,-1.0614,.9934;3.2032,-.0903,.8183;3.4846,.6203,-1.2658;-2.3996,-1.48,-1.9053;3.689,2.6979,.6334;4.4205,3.3966,-.2385;5.5262,3.1562,1.6993;2.5939,.6554,-.1907;4.003,-1.1047,.2139;2.4305,2.1028,.2705;4.0724,-.6695,-1.2572;1.2334,.0842,-.591;3.4147,-2.4837,.4099;.2746,-.3486,.3223;.8946,.0066,-1.9399;-.947,-.8672,-.0798;-.3204,-.4931,-2.3707;-1.2393,-.9379,-1.4338;4.364,2.5561,1.7742;5.502,3.6514,.4478;-3.5604,-1.3543,-1.1827;-3.9617,-.1353,-.6528;-4.3581,-2.4796,-1.0528;-5.1681,-.0473,.0224;-5.5717,-2.3893,-.3883;-5.9643,-1.175,.1504;4.9889,-1.0571,.6818;1.76,2.1476,1.1273;1.9843,2.699,-.523;5.0926,-.5889,-1.6291;3.5222,-1.359,-1.9072;3.3359,-2.7337,1.4676;4.0607,-3.2281,-.058;2.4248,-2.5696,-.0399;1.5984,.3509,-2.6845;-1.6518,-1.2146,.6637;-.5496,-.5404,-3.4268;3.9715,2.032,2.6303;6.3132,4.2243,.0268;-3.3499,.7506,-.7629;-4.0398,-3.425,-1.4715;-5.4817,.9009,.4361;-6.1956,-3.2664,-.2881; 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 1783 GEPOL Volume 2873.9926 GEPOL Surface-area 1410.3242 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.7s -2044.68814531 2719.66154656 -4764.34969186 -8209.60423734 3445.25454548 -0.03393695 -4083.41137367 2038.72322837 2.00292581 104.999964833206 104.999964833206 209.999929666412 -149.992258698224 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 -2765.3506 -2765.3312 -524.8613 -523.9837 -523.7848 -394.9012 -393.1674 -392.3124 -283.0716 -281.8734 -281.7902 -281.7200 -281.4772 -281.3870 -281.1089 -280.9795 -280.8920 -280.8303 -280.3015 -280.1518 -280.1394 -280.1208 -280.1072 -280.0523 -280.0026 -279.8920 -279.1689 -260.6546 -260.6320 -199.4922 -199.4654 -199.2616 -199.2453 -199.2368 -199.2301 -33.6329 -33.1542 -33.0628 -30.7265 -28.1548 -27.8976 -27.7212 -26.4365 -26.4226 -26.0261 -25.2156 -24.2234 -24.0180 -23.5827 -23.3476 -22.8595 -21.8433 -21.0231 -20.3311 -20.2348 -20.0065 -19.8369 -19.4669 -19.1475 -18.9185 -18.1154 -17.8465 -17.6231 -16.9108 -16.7296 -16.4620 -16.1762 -16.0211 -15.7289 -15.3037 -15.1857 -15.1243 -14.8711 -14.6616 -14.5676 -14.4652 -14.3304 -14.2283 -14.1236 -14.0383 -13.8234 -13.6782 -13.6029 -13.3843 -13.2376 -13.0509 -12.5762 -12.5319 -12.3951 -12.2937 -11.9444 -11.7864 -11.6078 -11.4492 -11.2567 -11.1408 -10.7376 -10.6596 -10.3700 -9.9643 -9.8464 -9.7947 -9.4846 -9.1836 -8.5361 1.0485 1.1820 1.5557 1.7187 2.2629 3.0317 3.0690 3.3361 3.4390 3.8043 4.0442 4.2140 4.4360 4.4504 4.5733 4.7346 4.7793 4.8345 4.9938 5.0905 5.1577 5.2312 5.3829 5.4256 5.5094 5.7047 5.7673 5.8441 5.8775 5.9729 6.0749 6.3418 6.4016 6.6094 6.7154 6.7615 6.9325 7.2549 7.3726 7.4920 7.5923 7.6597 7.8379 7.9311 7.9928 8.1337 8.2197 8.3021 8.4271 8.4802 8.5393 8.6921 8.7696 8.8871 8.9490 9.1768 9.2823 9.4435 9.5811 9.6514 9.7392 9.8669 9.9026 10.0428 10.2304 10.2901 10.3525 10.4897 10.6331 10.8392 10.8569 10.9409 11.0536 11.1885 11.1947 11.3554 11.4575 11.5118 11.6169 11.7389 11.7831 11.9681 12.0180 12.0914 12.1947 12.3382 12.3513 12.4358 12.5057 12.6130 12.7886 12.8199 12.9067 12.9368 13.1449 13.1597 13.2516 13.3989 13.4307 13.4843 13.5608 13.7323 13.8888 13.9358 14.0115 14.0438 14.1568 14.2292 14.3684 14.4221 14.4939 14.6554 14.7087 14.8145 14.8832 14.9467 15.0200 15.1921 15.3778 15.4152 15.5539 15.6915 15.7646 15.8783 15.9346 16.1043 16.1594 16.2622 16.3687 16.5187 16.5657 16.7461 16.8767 16.9307 17.1131 17.2545 17.3379 17.4348 17.5836 17.6129 17.8494 17.9312 18.2282 18.3006 18.4688 18.5832 18.6504 18.7596 19.0008 19.1428 19.4683 19.5333 19.7709 19.8310 19.9249 20.0001 20.1036 20.1975 20.3000 20.4397 20.5441 20.6852 20.9051 20.9341 21.1126 21.1627 21.2135 21.3561 21.4704 21.8363 21.9918 22.1246 22.1908 22.4257 22.5477 22.6339 22.7733 22.8612 22.9641 23.0077 23.1887 23.2941 23.5417 23.6945 23.9582 24.0125 24.3040 24.4344 24.4809 24.5848 24.6282 24.9763 25.1606 25.3249 25.3732 25.5954 25.7954 25.8112 26.1054 26.1417 26.2533 26.4676 26.6799 26.7128 27.1257 27.2874 27.2982 27.3931 27.5755 27.6797 27.9404 28.1321 28.2873 28.4973 28.7392 28.8599 28.9441 29.0222 29.1171 29.2618 29.4416 29.5339 29.6814 29.7515 30.0164 30.1086 30.1912 30.3223 30.3900 30.5726 30.6967 30.8093 30.8826 31.2251 31.3039 31.7323 31.7644 31.9177 32.0956 32.2674 32.4902 32.6068 32.6385 32.7160 32.9390 33.0410 33.3982 33.4752 33.8454 33.9510 34.1710 34.3002 34.4506 34.7834 34.8621 34.8982 34.9937 35.0995 35.2287 35.4037 35.4490 35.8119 35.8566 36.1998 36.4455 36.6223 36.6692 36.7776 36.9258 37.0477 37.1275 37.2333 37.5365 37.5664 37.7401 37.8953 37.9778 38.1969 38.3220 38.4799 38.6983 38.7825 38.9561 39.0713 39.1728 39.3314 39.4090 39.5561 39.7669 39.7987 39.9479 40.2364 40.4559 40.5074 40.8075 40.8786 40.9300 41.1026 41.3967 41.4624 41.6140 41.7030 41.8208 41.9750 42.1053 42.3554 42.3608 42.5118 42.6246 42.9233 43.1162 43.1991 43.3330 43.4692 43.5793 43.7251 43.8594 43.9769 44.0554 44.1887 44.2993 44.3508 44.4946 44.6814 44.9547 45.0099 45.1962 45.2723 45.4002 45.6348 45.7747 46.1769 46.2424 46.2791 46.4758 46.7623 46.7884 46.9033 47.1120 47.2514 47.3978 47.5035 47.7607 47.8467 48.0663 48.1629 48.3386 48.6348 48.8998 48.9936 49.2182 49.4898 49.5726 49.6856 49.8286 49.9986 50.1484 50.7163 50.7686 51.1300 51.3029 51.5145 51.6354 51.6970 51.9521 52.1382 52.3869 52.4089 52.6222 52.6298 52.7302 52.9514 53.1350 53.4007 53.5799 53.7177 53.9444 54.2604 54.3139 54.5678 54.7527 54.7846 54.8816 55.1964 55.2731 55.6151 55.7035 55.8601 56.1666 56.2295 56.5043 56.7396 56.9336 57.0706 57.1705 57.4800 57.7247 58.0055 58.1525 58.3786 58.5137 58.7788 59.0469 59.3431 59.4145 59.5107 59.6885 59.7677 59.9027 60.0553 60.3650 60.4162 60.6698 60.8486 61.1797 61.4963 61.5829 61.7044 61.9152 62.2465 62.4227 62.6275 62.8605 63.1128 63.3038 63.4903 63.6833 64.0532 64.1259 64.5156 64.6345 64.6572 64.7779 64.8773 65.1683 65.2299 65.4818 65.6198 65.7356 65.8342 66.0345 66.0828 66.1785 66.4090 66.5326 66.7776 66.9962 67.2066 67.3010 67.7147 67.8330 67.9533 68.3245 68.5344 68.6686 69.0099 69.1209 69.5076 69.9219 69.9903 70.2849 70.5328 71.4420 71.9033 72.2602 72.6868 72.8295 73.0501 73.1572 73.5688 73.8654 73.9798 74.1711 74.3581 74.6313 74.7869 75.0906 75.1506 75.3953 75.8808 76.3280 76.4095 76.4925 76.7323 76.8904 77.1329 77.1700 77.2912 77.3578 77.6321 77.8439 77.9228 78.0843 78.1671 78.2950 78.4096 78.6594 79.0411 79.1979 79.2415 79.3025 79.4445 79.8151 79.8751 79.9762 80.2376 80.5500 80.6040 80.6999 80.8380 80.8759 81.1317 81.2439 81.3496 81.4813 81.5926 81.7480 81.7945 82.1131 82.1573 82.3476 82.4210 82.5272 82.6531 82.7818 82.9844 83.0981 83.2237 83.4612 83.4653 83.6132 83.8097 84.0991 84.2344 84.2665 84.5982 84.7762 84.8945 85.0019 85.0606 85.1756 85.5344 85.5581 85.6303 85.8687 86.0051 86.2129 86.5491 86.5918 86.7063 86.7534 87.0477 87.2085 87.3229 87.4944 87.5486 87.8206 87.9166 88.0636 88.2162 88.2487 88.4605 88.6026 88.6902 88.8349 88.9464 88.9828 89.1234 89.2930 89.3806 89.4876 89.6048 89.7115 89.8994 89.9803 90.0712 90.2333 90.3913 90.6023 90.6619 90.8220 90.9677 91.1257 91.3587 91.5779 91.8081 91.8337 92.0341 92.2046 92.3682 92.5116 92.7384 92.8347 92.9893 93.0622 93.3241 93.4198 93.6220 93.6811 93.8119 93.8827 93.9732 94.1377 94.2731 94.6066 94.7981 94.8551 95.1350 95.1433 95.4448 95.6307 95.6926 95.8874 96.0359 96.2924 96.4436 96.6032 96.7802 96.7999 97.0126 97.1409 97.3129 97.5590 97.6853 97.8265 97.8974 98.1797 98.3772 98.4529 98.5245 98.7774 99.0211 99.1340 99.2390 99.2593 99.4408 99.5063 99.5648 99.7678 99.9562 100.4234 100.5988 100.6538 100.8303 100.9921 101.1243 101.3252 101.5384 101.6651 101.7267 102.0764 102.3900 102.5050 102.7301 102.7444 103.0516 103.0959 103.1513 103.4141 103.5874 103.8067 103.9697 104.2899 104.4083 104.5370 104.6971 105.0050 105.2252 105.3186 105.4713 105.7158 105.7505 105.7861 106.0664 106.2383 106.4260 106.4857 106.5589 106.8561 106.9018 106.9350 107.1649 107.3199 107.5023 107.6601 107.7403 107.8990 108.2280 108.3863 108.4512 108.6783 108.8059 108.8864 109.0903 109.4014 109.6064 109.7928 110.0382 110.2469 110.3358 110.5081 110.5491 110.8693 111.0711 111.3343 111.4819 111.8546 111.9879 112.1391 112.2234 112.4842 112.7190 112.8317 113.0788 113.2197 113.4082 113.5805 113.8501 114.0739 114.1623 114.4231 114.6451 114.6569 114.9236 115.1431 115.3426 115.4312 115.5066 115.7071 115.9194 116.0581 116.4133 116.4717 116.6446 116.8968 117.0152 117.3061 117.4095 117.5704 117.6132 117.8211 117.8573 118.0608 118.1439 118.5000 118.7682 118.9556 119.2032 119.4254 119.4710 119.7634 119.8645 120.0105 120.0600 120.2754 120.6292 120.7244 120.7366 120.9880 121.3094 121.7573 121.8472 121.9931 122.3459 122.5276 122.8351 123.0489 123.1463 123.6211 123.8790 124.2525 124.3301 124.4842 125.2724 125.5980 125.6968 126.1171 126.4632 126.5401 126.7857 126.9431 127.3701 127.5055 127.9532 128.1469 128.3635 128.8170 129.0383 129.6195 129.7687 129.9849 130.0907 130.3831 130.6868 130.7792 130.9844 131.3629 131.5390 131.5967 131.6834 131.8397 131.9702 132.1411 132.2838 132.5808 132.6969 132.7986 133.1848 133.3134 133.5788 133.6786 133.9356 134.1360 134.3216 134.9087 134.9748 135.1883 135.5805 135.7473 136.0881 136.2352 136.8693 136.9902 137.1537 137.3120 137.5009 137.9127 138.0493 138.3316 138.4878 138.5939 138.8043 139.1323 139.5134 139.7194 139.8055 140.1950 140.4894 141.0764 141.2302 141.3132 141.7544 142.4468 142.6614 142.8635 143.1702 143.3781 143.7101 144.0652 144.4317 144.5601 144.7744 144.9631 145.3402 145.7783 146.2108 146.6735 146.8141 147.0316 147.3041 147.3436 147.6182 147.7808 147.9566 148.0084 148.2287 148.5095 148.9258 149.0116 149.3946 149.5445 150.2857 150.4341 150.7396 151.1505 151.2782 151.7259 151.8672 152.3042 152.7566 153.2066 153.6317 153.6516 154.0093 154.1872 154.4381 154.6148 155.0774 155.3268 155.6583 156.0057 156.2879 156.4786 156.6457 156.8992 157.0439 157.2411 157.2767 157.4248 157.7368 158.1665 158.5192 159.0102 159.3140 159.5627 159.8971 160.4867 161.2419 161.5286 162.3698 163.2897 165.0634 166.1977 167.3658 167.7104 168.1203 168.3237 169.0675 169.8719 170.8611 171.4137 172.0104 172.4803 172.7438 173.7496 174.5504 176.1213 177.9402 178.5860 179.0911 183.2079 183.4291 185.9568 188.7305 189.1940 189.7135 190.7619 190.8989 192.9270 195.0445 195.2515 196.6061 197.9777 200.8587 201.5227 204.5754 205.8392 206.3175 208.4468 221.5373 222.8131 222.9661 223.3934 224.4361 224.9350 227.1971 228.3670 229.5273 230.2978 294.7856 295.9834 297.3016 300.3265 312.4017 313.4569 614.2895 615.2348 625.9710 627.9996 628.1469 631.7638 632.7519 634.0493 634.4373 635.6803 636.3552 636.5720 639.3003 640.7473 643.5742 648.4354 649.9459 653.5179 654.2886 712.0944 717.9443 877.6956 882.6835 901.9647 1214.3406 1215.2522 1219.1810 -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 -0.078613 -0.100642 -0.382805 -0.382441 -0.331411 0.128130 -0.358480 -0.423653 0.609134 0.202776 -0.112488 -0.039835 -0.196391 -0.299327 -0.004950 -0.102607 -0.147218 -0.271009 0.266168 0.071922 0.058501 0.276916 -0.191168 -0.251550 -0.128292 -0.107121 0.067253 0.088480 0.148337 0.129872 0.112097 0.094123 0.091000 0.108178 0.081172 0.152719 0.132434 0.151571 0.164989 0.162317 0.161361 0.153612 0.149066 0.147874 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 17.0786 17.1006 8.3828 8.3824 8.3314 6.8719 7.3585 7.4237 5.3909 5.7972 6.1125 6.0398 6.1964 6.2993 6.0050 6.1026 6.1472 6.2710 5.7338 5.9281 5.9415 5.7231 6.1912 6.2515 6.1283 6.1071 5.9327 0.9115 0.8517 0.8701 0.8879 0.9059 0.9090 0.8918 0.9188 0.8473 0.8676 0.8484 0.8350 0.8377 0.8386 0.8464 0.8509 0.8521 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 -0.0786 -0.1006 -0.3828 -0.3824 -0.3314 0.1281 -0.3585 -0.4237 0.6091 0.2028 -0.1125 -0.0398 -0.1964 -0.2993 -0.0050 -0.1026 -0.1472 -0.2710 0.2662 0.0719 0.0585 0.2769 -0.1912 -0.2515 -0.1283 -0.1071 0.0673 0.0885 0.1483 0.1299 0.1121 0.0941 0.0910 0.1082 0.0812 0.1527 0.1324 0.1516 0.1650 0.1623 0.1614 0.1536 0.1491 0.1479 1.2405 1.2028 1.9840 1.9916 2.0742 3.3571 2.8935 3.0276 3.8312 3.8259 3.7758 3.9455 3.5939 3.9826 3.9858 3.9018 3.9736 4.0763 3.7874 4.0682 4.0556 3.6912 3.9578 4.0462 3.9602 3.9452 3.8341 1.0013 1.0118 1.0236 1.0008 0.9972 1.0089 1.0068 0.9976 1.0196 1.0230 1.0070 1.0059 0.9949 0.9925 1.0043 1.0023 1.0012 1.2405 1.2028 1.9840 1.9916 2.0742 3.3571 2.8935 3.0276 3.8312 3.8259 3.7758 3.9455 3.5939 3.9826 3.9858 3.9018 3.9736 4.0763 3.7874 4.0682 4.0556 3.6912 3.9578 4.0462 3.9602 3.9452 3.8341 1.0013 1.0118 1.0236 1.0008 0.9972 1.0089 1.0068 0.9976 1.0196 1.0230 1.0070 1.0059 0.9949 0.9925 1.0043 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 1.0823 1.0016 0.9934 0.9090 0.9990 0.9273 0.9654 0.9106 1.0616 0.8784 1.3558 1.6571 1.5807 1.3752 0.8726 0.8644 0.9195 0.9598 0.9916 0.9941 0.9924 0.9763 1.0190 1.3135 1.2988 0.9936 0.9876 0.9815 1.4328 0.1065 1.4908 0.9674 1.3795 0.9501 1.3859 0.9863 0.9567 0.9611 1.3504 1.3898 1.4380 0.9691 1.4334 0.9837 1.3713 0.9757 1.3679 0.9791 0 14 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 14 17 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 -0.024758119 -2044.712903424853 26.00502 -26.81721 -0.81219 -4.49565 2.81388 -1.68177 -9.57728 8.66532 -0.91196 2.07838 5.28283