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:1.6488,-.6477,2.813;-7.3296,-1.7833,-2.5514;3.2082,-.3853,.3581;2.5411,.9563,-1.316;-3.0658,-.461,1.2375;4.1657,2.2968,.5618;5.1505,1.8278,1.3311;5.9868,3.0114,-.3761;2.3758,.6927,.0487;3.9374,-.7821,-.7992;2.7889,1.9606,.8084;3.0942,-.2001,-1.9176;.924,.355,.3715;4.0922,-2.2816,-.834;.5191,-.2451,1.5627;-.0783,.6963,-.5319;-.8103,-.5365,1.8193;-1.4173,.4368,-.2933;-1.7785,-.1969,.8866;4.6786,2.9935,-.4562;6.2216,2.2808,.7324;-4.0121,-.7563,.2972;-3.7592,-1.5957,-.7799;-5.282,-.2376,.5014;-4.7829,-1.9058,-1.6611;-6.309,-.559,-.3714;-6.0509,-1.3868,-1.452;4.9288,-.3122,-.7874;2.658,1.8325,1.881;2.159,2.7931,.4939;3.6749,.1003,-2.7887;2.3089,-.8952,-2.2398;3.1241,-2.7841,-.8465;4.656,-2.6399,.0273;4.6416,-2.5753,-1.7292;.187,1.189,-1.4568;-1.0996,-1.016,2.7451;-2.1558,.7363,-1.0249;4.071,3.4713,-1.208;7.2118,2.0861,1.1145;-2.7777,-2.0222,-.9417;-5.4738,.4108,1.3464;-4.5852,-2.5593,-2.4996;-7.299,-.1564,-.2063; 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 2691.3548342124 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 6.507e-06 Time for diagonalization 0.376 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.261 sec Total time needed 0.642 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:1.6488,-.6477,2.813;-7.3296,-1.7833,-2.5514;3.2082,-.3853,.3581;2.5411,.9563,-1.316;-3.0658,-.461,1.2375;4.1657,2.2968,.5618;5.1505,1.8278,1.3311;5.9868,3.0114,-.3761;2.3758,.6927,.0487;3.9374,-.7821,-.7992;2.7889,1.9606,.8084;3.0942,-.2001,-1.9176;.924,.355,.3715;4.0922,-2.2816,-.834;.5191,-.2451,1.5627;-.0783,.6963,-.5319;-.8103,-.5365,1.8193;-1.4173,.4368,-.2933;-1.7785,-.1969,.8866;4.6786,2.9935,-.4562;6.2216,2.2808,.7324;-4.0121,-.7563,.2972;-3.7592,-1.5957,-.7799;-5.282,-.2376,.5014;-4.7829,-1.9058,-1.6611;-6.309,-.559,-.3714;-6.0509,-1.3868,-1.452;4.9288,-.3122,-.7874;2.658,1.8325,1.881;2.159,2.7931,.4939;3.6749,.1003,-2.7887;2.3089,-.8952,-2.2398;3.1241,-2.7841,-.8465;4.656,-2.6399,.0273;4.6416,-2.5753,-1.7292;.187,1.189,-1.4568;-1.0996,-1.016,2.7451;-2.1558,.7363,-1.0249;4.071,3.4713,-1.208;7.2118,2.0861,1.1145;-2.7777,-2.0222,-.9417;-5.4738,.4108,1.3464;-4.5852,-2.5593,-2.4996;-7.299,-.1564,-.2063; 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 "1-OCTANOL" 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:1.6488,-.6477,2.813;-7.3296,-1.7833,-2.5514;3.2082,-.3853,.3581;2.5411,.9563,-1.316;-3.0658,-.461,1.2375;4.1657,2.2968,.5618;5.1505,1.8278,1.3311;5.9868,3.0114,-.3761;2.3758,.6927,.0487;3.9374,-.7821,-.7992;2.7889,1.9606,.8084;3.0942,-.2001,-1.9176;.924,.355,.3715;4.0922,-2.2816,-.834;.5191,-.2451,1.5627;-.0783,.6963,-.5319;-.8103,-.5365,1.8193;-1.4173,.4368,-.2933;-1.7785,-.1969,.8866;4.6786,2.9935,-.4562;6.2216,2.2808,.7324;-4.0121,-.7563,.2972;-3.7592,-1.5957,-.7799;-5.282,-.2376,.5014;-4.7829,-1.9058,-1.6611;-6.309,-.559,-.3714;-6.0509,-1.3868,-1.452;4.9288,-.3122,-.7874;2.658,1.8325,1.881;2.159,2.7931,.4939;3.6749,.1003,-2.7887;2.3089,-.8952,-2.2398;3.1241,-2.7841,-.8465;4.656,-2.6399,.0273;4.6416,-2.5753,-1.7292;.187,1.189,-1.4568;-1.0996,-1.016,2.7451;-2.1558,.7363,-1.0249;4.071,3.4713,-1.208;7.2118,2.0861,1.1145;-2.7777,-2.0222,-.9417;-5.4738,.4108,1.3464;-4.5852,-2.5593,-2.4996;-7.299,-.1564,-.2063; Epsilon 9.8629 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM Cl O N C H 2.3800 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.4s) GEPOL surface points 1654 GEPOL Volume 2881.9252 GEPOL Surface-area 1423.7353 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.7s -2044.69914866 2691.35483421 -4736.05398287 -8153.18416344 3417.13018057 -0.02959496 -4083.40015711 2038.70100845 2.00294214 105.000038757974 105.000038757974 210.000077515948 -149.987515646569 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 -2765.3262 -2765.3149 -524.8821 -524.0139 -523.7397 -394.8894 -393.1333 -392.2795 -283.0757 -281.8786 -281.7632 -281.7601 -281.4734 -281.3801 -281.1270 -280.9312 -280.9131 -280.8194 -280.3067 -280.1744 -280.1567 -280.1304 -280.0688 -280.0574 -280.0087 -279.9633 -279.2503 -260.6263 -260.6192 -199.4599 -199.4564 -199.2307 -199.2257 -199.2247 -199.2105 -33.6118 -33.2379 -33.0112 -30.7175 -28.0988 -27.8973 -27.7157 -26.4075 -26.3795 -26.0495 -25.3351 -24.2569 -24.0524 -23.4726 -23.2960 -22.9211 -21.9408 -21.0101 -20.2549 -20.2404 -20.2002 -19.7227 -19.5206 -19.1288 -18.8811 -18.0042 -17.8156 -17.6659 -16.9435 -16.6750 -16.5280 -16.2217 -16.1764 -15.7019 -15.2718 -15.2265 -15.1760 -14.7862 -14.6619 -14.5627 -14.4998 -14.4246 -14.2798 -14.1722 -14.0181 -13.9417 -13.6268 -13.5270 -13.3364 -13.1352 -12.9427 -12.7029 -12.5511 -12.4423 -12.3359 -11.8709 -11.7841 -11.7284 -11.4339 -11.2528 -11.0229 -10.7837 -10.5462 -10.3834 -10.0647 -9.8003 -9.5928 -9.4697 -9.2540 -8.4788 1.0556 1.2020 1.5173 1.7714 2.2807 3.0392 3.0724 3.3565 3.4321 3.8458 3.9054 4.2327 4.3619 4.4861 4.5832 4.6767 4.7524 4.9193 5.0115 5.1181 5.2347 5.3070 5.3506 5.4061 5.5480 5.6728 5.7312 5.7784 5.8746 6.0897 6.1474 6.2867 6.3428 6.4456 6.6309 6.7417 7.1077 7.1812 7.3897 7.4202 7.4892 7.6611 7.7162 7.8017 7.9255 7.9968 8.1037 8.3273 8.4244 8.5161 8.5337 8.7226 8.7731 8.9090 8.9580 9.0010 9.2150 9.2996 9.4311 9.4662 9.7003 9.8011 9.9121 10.1172 10.2185 10.3436 10.4099 10.4736 10.5200 10.6674 10.7977 10.9671 11.0621 11.2993 11.3300 11.3432 11.4559 11.5281 11.6016 11.7187 11.8492 11.8826 11.9518 11.9899 12.1120 12.1530 12.2736 12.3223 12.4392 12.6374 12.7286 12.8371 12.8987 12.9908 13.0712 13.1036 13.1745 13.2613 13.3498 13.4084 13.5542 13.6847 13.7552 13.8146 13.9278 13.9459 14.0893 14.2000 14.3308 14.3845 14.4467 14.5962 14.6814 14.7303 14.9327 14.9651 15.0390 15.0650 15.2189 15.3208 15.4197 15.4864 15.6382 15.7614 15.8489 15.9888 16.0273 16.3925 16.4487 16.5185 16.6660 16.8059 16.9612 17.0474 17.1718 17.1922 17.4529 17.7022 17.7857 17.8393 17.8683 17.9412 18.0857 18.1803 18.2241 18.4397 18.5959 18.9033 18.9872 19.0039 19.2028 19.3236 19.7276 19.7837 20.0011 20.0852 20.2008 20.2658 20.4415 20.5785 20.7167 20.7975 20.8753 21.0204 21.1013 21.1859 21.3381 21.4551 21.6456 21.8070 21.9498 22.1833 22.2762 22.4645 22.5497 22.6436 22.8334 22.8815 23.0219 23.0754 23.1988 23.2791 23.6476 23.7369 23.8164 23.9711 24.0555 24.2267 24.3473 24.5271 24.8189 24.9119 25.0093 25.2367 25.3256 25.6006 25.8248 25.8847 25.9627 26.0756 26.2207 26.4338 26.4822 26.6957 26.8873 26.9991 27.1814 27.2321 27.3368 27.7612 27.8803 28.0715 28.1481 28.3220 28.3965 28.6329 28.7494 29.0174 29.0653 29.1920 29.2138 29.3744 29.4087 29.6178 29.7081 29.7175 29.9644 30.0935 30.3030 30.3479 30.4257 30.5818 30.8293 30.9763 31.1916 31.3355 31.5930 31.8500 32.0310 32.2135 32.3233 32.4646 32.7119 32.8379 32.9486 33.1412 33.3005 33.3525 33.6833 33.7381 34.1227 34.2039 34.3038 34.5076 34.5787 34.6997 35.0071 35.1361 35.2521 35.3820 35.5917 35.6497 35.8767 35.9575 36.2836 36.4664 36.5102 36.6142 36.6589 36.8838 37.0148 37.2033 37.4093 37.4472 37.6253 37.8559 38.0120 38.1011 38.2563 38.3177 38.4911 38.5582 38.8442 38.9668 39.2062 39.4180 39.6599 39.8565 39.9176 40.0499 40.1329 40.1961 40.2521 40.3315 40.5691 40.8853 40.9579 41.0813 41.2068 41.3969 41.4643 41.8034 41.9529 42.0697 42.1711 42.2968 42.3512 42.7728 42.8447 43.1262 43.1862 43.3180 43.3230 43.3840 43.5485 43.6368 43.7395 43.8511 43.9432 44.0786 44.2610 44.3350 44.3929 44.5396 44.6236 44.7536 45.0868 45.2075 45.3177 45.3791 45.6565 45.7916 45.9712 46.1514 46.3026 46.4505 46.6524 46.8004 47.0759 47.2217 47.3900 47.5343 47.6291 47.8767 47.9330 48.1810 48.4443 48.5806 48.6287 48.8297 48.9846 49.0446 49.1189 49.6640 49.7176 49.9523 50.0856 50.4116 50.4730 50.7695 51.0675 51.2647 51.3829 51.7441 51.8313 51.8437 52.0740 52.2477 52.5167 52.5566 52.6257 52.7317 53.0544 53.1862 53.3202 53.4406 53.9081 53.9774 54.2294 54.3979 54.5194 54.7063 54.9420 55.1165 55.3604 55.5108 55.6022 55.9514 56.0638 56.3319 56.3749 56.6646 56.8729 56.9644 57.2165 57.5644 57.7313 57.9320 57.9638 58.2761 58.5432 58.6228 58.8223 59.1560 59.4737 59.5004 59.5969 59.8175 59.9779 60.1689 60.3463 60.4731 60.6715 61.1812 61.4031 61.4523 61.5597 61.6734 62.0300 62.1688 62.4112 62.7178 62.8346 62.8950 63.4665 63.4982 63.7009 63.8530 63.9448 64.3528 64.4927 64.6677 64.7565 64.9233 65.2156 65.3591 65.4783 65.6261 65.7088 65.7562 65.9567 66.1458 66.2052 66.5202 66.7353 66.7735 67.1009 67.1189 67.3122 67.7307 67.9166 67.9622 68.0663 68.3201 68.3946 68.9742 69.1375 69.5917 69.6850 70.0536 70.5121 70.8695 71.4143 71.4871 72.0336 72.1916 72.5520 73.0932 73.2643 73.6025 73.6502 73.7101 73.9256 74.1362 74.4767 74.6366 74.8772 74.9346 75.3586 75.5551 76.0132 76.1856 76.4367 76.7676 76.8765 76.9167 77.1237 77.1680 77.3928 77.4874 77.8079 77.8695 77.9788 78.3220 78.5390 78.6167 78.7934 78.9278 79.1182 79.1681 79.2239 79.4894 79.6184 79.8597 79.9625 80.2403 80.3517 80.5129 80.5556 80.7695 80.9461 81.1116 81.2347 81.2958 81.5761 81.7413 81.8038 81.9905 82.0208 82.1862 82.2490 82.4554 82.5517 82.6669 82.7507 82.8666 83.0773 83.3137 83.3778 83.6038 83.7940 83.8502 83.9795 84.2143 84.2503 84.4842 84.6509 84.7767 84.8212 85.0253 85.1096 85.3203 85.4077 85.4684 85.6935 85.8458 85.8813 86.1644 86.2593 86.5215 86.8541 86.9471 87.0541 87.1122 87.3415 87.3959 87.6809 87.8948 87.9435 88.0932 88.1966 88.2783 88.5864 88.6546 88.7490 88.8350 89.0196 89.0495 89.2247 89.3646 89.4472 89.5860 89.8886 90.0706 90.1563 90.2624 90.3035 90.4580 90.7422 90.8457 90.8929 91.0613 91.3241 91.4608 91.6348 91.7171 91.8111 91.9068 91.9366 92.0390 92.1892 92.4987 92.6035 92.8080 92.9982 93.1848 93.2480 93.4028 93.5444 93.7122 93.9162 94.0689 94.2008 94.2819 94.3026 94.4597 94.6013 94.8562 94.9968 95.1874 95.3124 95.4589 95.6975 95.8327 95.9598 96.2787 96.4294 96.4852 96.5876 96.8998 97.0267 97.1316 97.3984 97.5021 97.6862 97.7256 97.8355 98.0352 98.2520 98.3688 98.5204 98.7640 98.8331 98.8985 99.2428 99.3318 99.4196 99.5119 99.8463 99.9385 100.0979 100.1940 100.4620 100.7942 101.0230 101.1691 101.1827 101.3414 101.5634 101.6285 102.0517 102.1952 102.5265 102.7564 102.9150 103.1773 103.2907 103.3988 103.5774 103.6717 103.7861 104.2066 104.4205 104.5254 104.5782 104.7582 104.8649 105.1791 105.4399 105.6103 105.6300 105.7312 105.9689 106.1350 106.2407 106.3320 106.5505 106.6407 106.7919 106.8745 107.0166 107.2299 107.3621 107.5012 107.7173 107.8906 108.1794 108.2981 108.5251 108.7012 108.9143 108.9588 109.1107 109.2018 109.4103 109.5394 109.8047 109.9262 110.1526 110.3285 110.4409 110.6029 110.7964 111.0685 111.4154 111.6125 111.7747 112.0173 112.0871 112.3847 112.4971 112.5127 112.6857 112.8693 113.0310 113.0626 113.3037 113.5348 113.8083 114.0247 114.0575 114.3244 114.4355 114.7081 114.8380 115.0206 115.2336 115.3232 115.4882 115.7093 115.8771 116.0504 116.2834 116.4986 116.8668 116.9274 117.0872 117.3804 117.5194 117.7871 117.8868 118.1258 118.2990 118.3514 118.6263 118.8412 118.9470 119.1114 119.3075 119.4281 119.5544 119.6788 119.8834 119.9649 120.3818 120.4902 120.8555 121.0095 121.0584 121.1282 121.2263 121.6952 121.9208 122.2172 122.4420 122.5672 122.8517 123.0633 123.2928 123.5096 123.7778 124.2551 124.4078 124.8816 125.5683 125.7418 126.0403 126.2922 126.3991 126.6447 126.9893 127.2561 127.7586 128.0037 128.1251 128.4451 128.5860 128.8738 129.5428 129.6460 129.6567 129.9326 130.1571 130.4167 130.5941 130.7625 131.0908 131.2334 131.4774 131.5681 131.6927 131.8545 132.0089 132.2436 132.5293 132.6277 133.0114 133.1911 133.6184 133.8018 133.8877 134.0711 134.1547 134.5474 134.6528 134.7571 135.2474 135.6829 135.7668 136.1890 136.3874 136.4451 137.0737 137.2418 137.5593 137.7499 137.8867 138.2180 138.4277 138.6033 138.8557 139.0505 139.5147 139.6234 139.8257 139.9031 139.9801 140.5981 140.6952 141.2338 141.5553 142.2726 142.3350 142.8084 142.8191 142.8992 143.3104 143.5562 143.8610 144.1888 144.5304 144.6986 144.8375 144.9496 145.9584 146.2574 146.4417 146.7365 146.8728 147.0722 147.2968 147.7793 147.8526 147.9783 148.0794 148.1135 148.5454 148.8543 148.9674 149.2754 149.8977 149.9129 150.1140 150.5907 150.7995 151.4453 151.5633 152.1380 152.2898 152.8860 153.3510 153.4805 153.5999 154.1239 154.3353 154.4234 154.5774 155.0076 155.1542 155.3129 155.8345 156.0740 156.4473 156.5887 156.6704 156.9153 157.2272 157.4733 157.5887 157.7721 158.4441 158.6748 159.1563 159.4352 159.5514 159.9257 160.2554 160.7009 161.5935 162.6803 164.3810 164.7279 166.3496 166.8830 167.3490 167.4982 169.1679 169.2760 169.8208 170.5858 170.9719 171.5527 172.2250 172.6842 173.8121 174.6252 175.9457 176.9816 178.6643 179.7919 182.4910 183.4751 186.3103 187.9924 189.2365 189.5331 190.6560 190.9397 193.8408 194.9134 195.4138 196.8427 198.4466 201.8526 202.0104 202.7000 205.2125 206.5484 208.8184 221.5463 222.8121 223.0494 223.3957 224.5254 224.7401 227.2037 228.2216 229.5237 230.2980 294.7859 295.6528 297.3031 299.7032 312.4034 313.3481 614.0537 614.4282 625.8768 628.0529 628.7005 631.7774 632.1462 633.7430 634.4305 635.6039 636.5013 636.6254 639.8949 640.7156 643.7622 647.6358 649.3191 653.6160 654.2961 712.0219 716.7297 878.7242 883.2574 901.8890 1214.5214 1216.0172 1217.1681 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 -0.077791 -0.099623 -0.356060 -0.396717 -0.321085 0.115093 -0.345165 -0.407685 0.582628 0.127415 -0.120432 0.012527 -0.110875 -0.270801 0.001588 -0.113648 -0.230862 -0.226327 0.281095 0.058319 0.053113 0.311592 -0.216978 -0.261078 -0.122383 -0.103373 0.060216 0.068802 0.134040 0.138004 0.114607 0.087131 0.078535 0.096344 0.094597 0.149274 0.128591 0.156739 0.170174 0.159619 0.158801 0.149535 0.145972 0.146529 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 17.0778 17.0996 8.3561 8.3967 8.3211 6.8849 7.3452 7.4077 5.4174 5.8726 6.1204 5.9875 6.1109 6.2708 5.9984 6.1136 6.2309 6.2263 5.7189 5.9417 5.9469 5.6884 6.2170 6.2611 6.1224 6.1034 5.9398 0.9312 0.8660 0.8620 0.8854 0.9129 0.9215 0.9037 0.9054 0.8507 0.8714 0.8433 0.8298 0.8404 0.8412 0.8505 0.8540 0.8535 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 -0.0778 -0.0996 -0.3561 -0.3967 -0.3211 0.1151 -0.3452 -0.4077 0.5826 0.1274 -0.1204 0.0125 -0.1109 -0.2708 0.0016 -0.1136 -0.2309 -0.2263 0.2811 0.0583 0.0531 0.3116 -0.2170 -0.2611 -0.1224 -0.1034 0.0602 0.0688 0.1340 0.1380 0.1146 0.0871 0.0785 0.0963 0.0946 0.1493 0.1286 0.1567 0.1702 0.1596 0.1588 0.1495 0.1460 0.1465 1.2401 1.2038 2.0229 1.9764 2.0915 3.3868 2.8798 3.0312 3.8311 3.9354 3.8092 3.9125 3.6653 3.9721 4.0057 3.9007 4.1257 3.9800 3.7875 4.0664 4.0478 3.6786 3.9658 4.0471 3.9598 3.9456 3.8509 0.9965 1.0291 1.0073 1.0006 1.0027 1.0105 1.0035 1.0050 1.0245 1.0279 0.9975 1.0016 0.9967 0.9949 1.0062 1.0033 1.0016 1.2401 1.2038 2.0229 1.9764 2.0915 3.3868 2.8798 3.0312 3.8311 3.9354 3.8092 3.9125 3.6653 3.9721 4.0057 3.9007 4.1257 3.9800 3.7875 4.0664 4.0478 3.6786 3.9658 4.0471 3.9598 3.9456 3.8509 0.9965 1.0291 1.0073 1.0006 1.0027 1.0105 1.0035 1.0050 1.0245 1.0279 0.9975 1.0016 0.9967 0.9949 1.0062 1.0033 1.0016 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.0627 0.1015 1.0027 0.9794 0.9617 0.9419 0.9270 0.9630 0.9326 1.0638 0.8722 1.3473 1.6415 1.5896 1.3734 0.8823 0.9072 0.9531 0.9582 0.9991 0.9895 0.9964 0.9754 1.0011 1.3414 1.3048 0.9907 0.9920 0.9845 1.4723 1.4666 0.9583 1.4092 0.9643 1.3626 0.9668 0.9570 0.9645 1.3475 1.3820 1.4367 0.9684 1.4395 0.9829 1.3776 0.9745 1.3674 0.9783 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 -0.024031357 -2044.723180016689 22.83124 -24.01659 -1.18534 1.17471 -1.43825 -0.26354 -8.02148 6.80427 -1.21721 1.71933 4.37019