Orca 5.0.2 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 44 45 46 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 1 2 2 2 3 4 4 4 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 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-4.448,-3.75,.6745;-3.4617,-6.4333,.2891;1.2155,-1.1502,-.7605;-.7046,-.3015,.0049;1.3878,4.6355,.5536;3.4653,-.3687,-3.0347;-.3291,-2.6712,2.0658;-1.4147,-2.9967,1.0815;-.0603,-2.5408,.5787;-.5123,-1.4442,2.9243;.4141,-3.7768,2.7743;-1.8257,-4.3783,.8048;.069,-1.2233,-.0618;-3.0746,-4.7866,.6185;1.5166,.105,-1.3578;1.9705,1.131,-.3451;2.604,-.1792,-2.2965;1.4397,2.4108,-.3945;2.9197,.7879,.6105;1.8887,3.3647,.5116;3.3368,1.7445,1.5218;2.834,3.0359,1.4721;1.004,5.2801,-.5974;-.1356,6.067,-.523;1.748,5.2125,-1.7686;-.5348,6.7944,-1.6356;1.3279,5.9341,-2.8771;.1885,6.7258,-2.8178;-2.1984,-2.2506,1.017;.5854,-3.3073,.1657;-1.1542,-.691,2.4728;.4504,-.982,3.1507;-.9706,-1.7349,3.8718;.6304,-4.6301,2.1332;-.1625,-4.1341,3.6293;1.3673,-3.4025,3.1508;-1.0513,-5.1333,.7374;.6683,.4845,-1.9379;.6857,2.6526,-1.1334;3.3351,-.211,.6465;4.0732,1.489,2.2713;3.1691,3.7857,2.1773;-.6997,6.1146,.3992;2.6461,4.6108,-1.8242;-1.4214,7.4114,-1.5762;1.9033,5.8793,-3.7917;-.1306,7.2877,-3.6852; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1585 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 216 Dim 1156 ENuc 2680.5368463124 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.102e-06 Time for diagonalization 0.470 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.317 sec Total time needed 0.798 sec 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-4.448,-3.75,.6745;-3.4617,-6.4333,.2891;1.2155,-1.1502,-.7605;-.7046,-.3015,.0049;1.3878,4.6355,.5536;3.4653,-.3687,-3.0347;-.3291,-2.6712,2.0658;-1.4147,-2.9967,1.0815;-.0603,-2.5408,.5787;-.5123,-1.4442,2.9243;.4141,-3.7768,2.7743;-1.8257,-4.3783,.8048;.069,-1.2233,-.0618;-3.0746,-4.7866,.6185;1.5166,.105,-1.3578;1.9705,1.131,-.3451;2.604,-.1792,-2.2965;1.4397,2.4108,-.3945;2.9197,.7879,.6105;1.8887,3.3647,.5116;3.3368,1.7445,1.5218;2.834,3.0359,1.4721;1.004,5.2801,-.5974;-.1356,6.067,-.523;1.748,5.2125,-1.7686;-.5348,6.7944,-1.6356;1.3279,5.9341,-2.8771;.1885,6.7258,-2.8178;-2.1984,-2.2506,1.017;.5854,-3.3073,.1657;-1.1542,-.691,2.4728;.4504,-.982,3.1507;-.9706,-1.7349,3.8718;.6304,-4.6301,2.1332;-.1625,-4.1341,3.6293;1.3673,-3.4025,3.1508;-1.0513,-5.1333,.7374;.6683,.4845,-1.9379;.6857,2.6526,-1.1334;3.3351,-.211,.6465;4.0732,1.489,2.2713;3.1691,3.7857,2.1773;-.6997,6.1146,.3992;2.6461,4.6108,-1.8242;-1.4214,7.4114,-1.5762;1.9033,5.8793,-3.7917;-.1306,7.2877,-3.6852; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-4.448,-3.75,.6745;-3.4617,-6.4333,.2891;1.2155,-1.1502,-.7605;-.7046,-.3015,.0049;1.3878,4.6355,.5536;3.4653,-.3687,-3.0347;-.3291,-2.6712,2.0658;-1.4147,-2.9967,1.0815;-.0603,-2.5408,.5787;-.5123,-1.4442,2.9243;.4141,-3.7768,2.7743;-1.8257,-4.3783,.8048;.069,-1.2233,-.0618;-3.0746,-4.7866,.6185;1.5166,.105,-1.3578;1.9705,1.131,-.3451;2.604,-.1792,-2.2965;1.4397,2.4108,-.3945;2.9197,.7879,.6105;1.8887,3.3647,.5116;3.3368,1.7445,1.5218;2.834,3.0359,1.4721;1.004,5.2801,-.5974;-.1356,6.067,-.523;1.748,5.2125,-1.7686;-.5348,6.7944,-1.6356;1.3279,5.9341,-2.8771;.1885,6.7258,-2.8178;-2.1984,-2.2506,1.017;.5854,-3.3073,.1657;-1.1542,-.691,2.4728;.4504,-.982,3.1507;-.9706,-1.7349,3.8718;.6304,-4.6301,2.1332;-.1625,-4.1341,3.6293;1.3673,-3.4025,3.1508;-1.0513,-5.1333,.7374;.6683,.4845,-1.9379;.6857,2.6526,-1.1334;3.3351,-.211,.6465;4.0732,1.489,2.2713;3.1691,3.7857,2.1773;-.6997,6.1146,.3992;2.6461,4.6108,-1.8242;-1.4214,7.4114,-1.5762;1.9033,5.8793,-3.7917;-.1306,7.2877,-3.6852; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW 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! ( 0.0s) GEPOL surface points 2771 GEPOL Volume 2936.6960 GEPOL Surface-area 1653.1798 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -2050.67289966 2680.53684631 -4731.20974597 -8136.46413595 3405.25438997 -0.03739172 -4095.12398883 2044.45108917 2.00304327 107.999865540281 107.999865540281 215.999731080562 -151.860941373736 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6617 -2765.6130 -525.2494 -524.6818 -523.4529 -392.9644 -283.7557 -282.8439 -282.7784 -281.7242 -281.5573 -281.3182 -280.6083 -280.5400 -280.3684 -280.3506 -280.2974 -280.0229 -279.9655 -279.8695 -279.8641 -279.8248 -279.8110 -279.7795 -279.7335 -279.6350 -279.2675 -279.2381 -260.9303 -260.8809 -199.7715 -199.7240 -199.5258 -199.5196 -199.4741 -199.4707 -34.1755 -32.9737 -31.6018 -28.4829 -28.4178 -27.6478 -27.1952 -26.6730 -26.0019 -25.4142 -24.1586 -24.0891 -23.7388 -23.6498 -23.1610 -22.9017 -21.9292 -21.2522 -20.6260 -20.0447 -19.6893 -19.3544 -19.0023 -18.3733 -18.1565 -17.8717 -17.3889 -17.2033 -16.9540 -16.4963 -16.2387 -16.1422 -15.9771 -15.9001 -15.7471 -15.3982 -15.0578 -14.8039 -14.6814 -14.5622 -14.3904 -14.2757 -14.1010 -14.0060 -13.8420 -13.7880 -13.6094 -13.4194 -13.2587 -13.0235 -12.9585 -12.8906 -12.8020 -12.7185 -12.4634 -12.3892 -12.2896 -12.1561 -12.0790 -11.8800 -11.7465 -11.7360 -11.4445 -11.3846 -11.2014 -10.8379 -10.3272 -9.6892 -9.4626 -9.4236 -8.8990 -8.4980 0.9852 1.3150 1.4067 1.7024 1.9802 2.1606 2.5039 2.5765 2.9916 3.1691 3.3560 3.6508 4.0025 4.1325 4.2022 4.3357 4.6000 4.6584 4.7818 4.8066 4.9217 5.0098 5.0705 5.2249 5.2530 5.5614 5.5889 5.7591 5.8475 5.9176 6.0516 6.1380 6.2493 6.3157 6.4020 6.5691 6.6840 6.9212 6.9648 7.0417 7.2202 7.3606 7.5146 7.5847 7.7102 7.7449 7.8383 7.8935 8.0604 8.0745 8.1337 8.2512 8.3174 8.3624 8.4154 8.5977 8.7187 8.8440 8.8881 8.9595 9.0142 9.2289 9.3372 9.3746 9.5259 9.6329 9.6898 9.8100 9.9981 10.0512 10.1906 10.2564 10.4003 10.4463 10.6553 10.6944 10.6985 10.8567 10.9917 11.0684 11.1427 11.2555 11.3616 11.4290 11.4638 11.5198 11.6202 11.7463 11.8286 11.8682 11.9815 12.0293 12.1423 12.2835 12.3516 12.4582 12.4963 12.5905 12.6687 12.7377 12.8580 12.9265 13.0091 13.2413 13.2661 13.3938 13.5079 13.5761 13.6447 13.7797 13.8626 13.8746 14.0098 14.0221 14.1895 14.2632 14.3146 14.4313 14.4847 14.5680 14.6790 14.7425 14.8138 14.9062 14.9539 15.0861 15.1756 15.2443 15.3220 15.4861 15.6388 15.7242 15.8115 15.8531 15.9808 16.0144 16.0675 16.2782 16.3387 16.5289 16.5915 16.6064 16.7411 16.7607 16.7756 16.9427 17.1233 17.3454 17.3832 17.4477 17.5789 17.6933 17.9137 18.0244 18.1771 18.2147 18.6066 18.6850 18.7118 18.9006 19.1113 19.2643 19.3379 19.4115 19.7399 19.7937 19.8235 19.9758 20.0203 20.1909 20.3741 20.4824 20.6394 20.7420 20.8109 20.9649 21.0152 21.1738 21.2716 21.3021 21.4067 21.4637 21.6916 21.8010 21.8491 22.0771 22.1686 22.2826 22.6435 22.7085 22.8689 23.0157 23.2133 23.2676 23.4595 23.5103 23.5653 23.8237 23.9285 24.0075 24.1345 24.2253 24.4290 24.5282 24.6278 24.8323 24.9513 25.1101 25.2602 25.3883 25.6568 25.8816 25.9362 26.3326 26.3877 26.6133 26.8245 26.9280 27.0313 27.1536 27.2892 27.3423 27.4819 27.6457 27.8272 28.0962 28.2165 28.2363 28.4057 28.5406 28.6475 28.8409 28.9397 29.1022 29.1666 29.3672 29.4078 29.5254 29.7237 29.8189 30.0868 30.1846 30.3023 30.4042 30.5225 30.5875 30.7986 30.9201 30.9616 31.1373 31.3217 31.4741 31.5555 31.7552 32.1169 32.1588 32.3651 32.3961 32.5336 32.6001 32.7350 32.8842 33.0352 33.2251 33.2480 33.5455 33.6248 33.7919 33.9365 34.1324 34.2120 34.2954 34.5057 34.6213 34.7157 34.8322 35.0602 35.1308 35.2968 35.5007 35.6382 35.6539 35.8787 35.9509 36.1708 36.3594 36.4346 36.5004 36.5953 36.7374 36.7798 37.0211 37.2161 37.3245 37.4088 37.5086 37.7448 37.9060 38.0738 38.1628 38.1920 38.3647 38.5004 38.6694 38.7439 38.7867 38.8863 38.9312 39.2096 39.3387 39.3992 39.5003 39.6560 39.9175 40.0847 40.2872 40.5420 40.6271 40.7298 40.9643 41.0112 41.1106 41.2778 41.3539 41.4139 41.5231 41.7279 41.8339 42.0093 42.2421 42.3330 42.5194 42.6739 42.7223 42.9463 42.9990 43.3003 43.3896 43.4996 43.7802 43.8807 44.0116 44.0413 44.1945 44.3621 44.4185 44.4967 44.6091 44.6662 44.8711 44.9871 45.2282 45.2586 45.5276 45.6004 45.9079 45.9764 46.0933 46.2124 46.4211 46.5313 46.5822 46.8522 46.9745 47.1332 47.3437 47.4739 47.6869 47.8425 47.9786 48.1395 48.3052 48.3464 48.4968 48.6691 48.7422 49.0786 49.5060 49.5830 49.6278 49.7099 49.8901 50.2054 50.3572 50.4334 50.6718 50.7380 50.8007 51.0613 51.2409 51.3015 51.6262 51.7006 51.8565 51.9604 52.0818 52.3272 52.4055 52.4871 52.5187 52.8903 52.9274 53.2028 53.2941 53.5345 53.7643 53.9467 54.4224 54.4821 54.8098 54.8968 55.1182 55.3234 55.6179 56.0343 56.1503 56.2781 56.4034 56.5337 56.6585 56.9504 57.0947 57.1635 57.2535 57.4656 57.7385 57.8695 57.9358 58.2568 58.4195 58.7488 58.8027 58.8401 59.0045 59.1181 59.1862 59.3522 59.6835 59.8011 59.8717 60.0612 60.1522 60.4325 60.8561 61.0711 61.1605 61.6518 61.7482 61.8989 62.3166 62.5604 62.7679 62.9540 63.0900 63.2053 63.3896 63.4753 63.6225 63.8498 63.9916 64.2075 64.3676 64.5132 64.7410 64.8583 64.9883 65.2209 65.3505 65.6544 65.7677 65.9751 66.1771 66.3166 66.4533 66.6650 67.0657 67.1874 67.6408 67.6934 67.7803 67.9249 68.1711 68.4210 68.5708 68.7973 68.9751 69.1031 69.4450 69.6381 69.8283 70.3478 70.5227 70.7452 71.3380 71.5025 71.8976 71.9284 72.3554 72.7124 72.9598 73.3403 73.3466 73.5224 73.5531 73.7632 74.2186 74.4800 74.5506 74.6395 74.9196 74.9898 75.1896 75.4161 75.7883 76.0001 76.0588 76.3830 76.4929 76.5855 76.7255 76.9085 77.0424 77.3019 77.4784 77.6783 77.8969 77.9881 78.0724 78.1607 78.5270 78.5909 78.7520 78.8955 78.9847 79.1199 79.2503 79.3313 79.4435 79.7119 79.7392 79.7510 79.8335 79.9454 80.0748 80.1169 80.3696 80.5263 80.5337 80.8259 81.0473 81.0903 81.4131 81.6746 81.7855 81.9170 82.0318 82.2161 82.2707 82.3339 82.5178 82.5645 82.6847 82.7287 82.9332 83.2020 83.3015 83.5442 83.7671 83.8786 84.0875 84.2121 84.2917 84.4296 84.5200 84.6270 84.6616 84.8079 84.8998 85.0917 85.2631 85.3874 85.4626 85.6141 85.7089 85.7869 85.9837 86.0554 86.2148 86.2780 86.3042 86.6119 86.6881 86.7724 87.0455 87.0978 87.1974 87.6983 87.7885 87.8134 87.9826 88.1667 88.2977 88.4484 88.5820 88.6459 88.7783 88.8799 88.9264 89.1441 89.2355 89.3084 89.4964 89.5099 89.6611 89.7057 89.8852 89.9601 90.1999 90.3579 90.3829 90.5486 90.6408 90.8239 90.9462 91.2167 91.2858 91.3131 91.4783 91.7382 91.8636 92.1764 92.2658 92.4043 92.5470 92.5610 92.7973 92.8282 92.9291 92.9773 93.2218 93.3338 93.3996 93.4976 93.6132 93.7688 93.8118 93.9183 94.1739 94.2047 94.2536 94.3310 94.6424 94.8377 94.8940 95.0209 95.0345 95.2152 95.3664 95.4676 95.5682 95.7402 95.9450 96.0418 96.3923 96.5324 96.6767 96.7214 96.9185 97.1472 97.2302 97.2675 97.4178 97.5109 97.6825 97.7731 97.8435 97.9530 98.1971 98.3581 98.4326 98.5862 98.6614 98.8530 98.9063 99.1308 99.2746 99.5039 99.5839 99.8916 100.1596 100.3328 100.5333 100.6614 100.9749 101.1915 101.2558 101.3572 101.8041 102.0629 102.0928 102.2201 102.5982 102.7397 102.7889 102.9235 103.2537 103.2973 103.8039 104.0973 104.1819 104.4761 104.6377 104.7580 104.8615 104.9358 105.2108 105.3886 105.5053 105.5367 105.6397 105.7297 105.8711 106.0651 106.0963 106.2611 106.3932 106.5431 106.6140 106.7616 107.0519 107.1873 107.2957 107.3905 107.5283 107.6658 107.8643 107.9222 108.0014 108.3248 108.4571 108.7791 109.0147 109.2193 109.4733 109.6197 109.8133 110.0392 110.1336 110.2486 110.2819 110.4677 110.7484 110.8377 110.9195 111.0490 111.1365 111.3276 111.5093 111.6853 111.7937 112.0801 112.3767 112.6070 112.7168 113.0254 113.3685 113.5000 113.5130 113.6867 113.7476 113.9726 114.2727 114.3321 114.4942 114.6251 115.0088 115.2114 115.2813 115.3345 115.4615 115.8995 116.0864 116.1362 116.2509 116.3680 116.4447 116.6557 116.7173 116.9915 117.0240 117.2553 117.3754 117.4372 117.6886 117.7845 117.8890 118.0503 118.1846 118.2919 118.3946 118.5016 118.6499 118.7374 118.8491 118.9521 119.1133 119.2827 119.5737 119.6510 119.9960 120.2910 120.3565 120.4896 120.6114 120.9041 121.1141 121.2566 121.4649 121.6887 121.9321 122.0342 122.0770 122.2759 122.4474 122.6989 122.8874 123.2822 123.6055 124.0629 124.2864 124.4339 124.5606 125.2547 125.3908 125.6790 126.0417 126.0843 126.3506 126.3683 126.4014 126.9044 127.0157 127.4202 127.8848 127.9882 128.0482 128.7937 129.0370 129.2047 129.3395 129.3756 129.4663 129.8939 129.9474 130.0100 130.2998 130.4884 130.6509 130.8621 130.9221 131.1952 131.3545 131.4958 131.7350 131.8825 132.0014 132.2067 132.3597 132.6267 132.8837 133.0823 133.3575 133.5706 133.9706 134.3924 134.4758 134.9005 135.0435 135.1765 135.3902 135.7316 136.6236 136.7168 136.7883 137.2725 137.6305 137.9226 138.1332 138.2888 138.7122 138.8375 138.9316 139.4005 139.6524 139.7361 139.9370 140.7940 141.0416 141.2783 141.3537 141.8189 142.1170 142.7683 142.9872 143.2779 143.4633 143.9894 144.0720 144.2570 144.3176 144.3743 144.5797 144.8678 145.0832 145.4494 145.5662 145.9663 146.1947 146.3073 146.5829 146.9841 147.3922 147.7016 147.8183 147.8426 148.1297 148.3819 148.4691 148.8247 149.0191 149.7924 149.8677 149.9869 150.3516 150.4071 150.9685 151.1567 151.6145 151.8324 152.2504 152.5157 152.5971 152.7923 153.3409 153.7769 154.4338 154.7275 155.0304 155.8319 155.9180 156.0239 156.4621 156.6372 156.8843 157.2223 157.8332 157.9810 158.7367 159.1512 159.4286 159.6412 159.9809 160.2311 160.5615 160.9316 161.8506 162.1035 162.3128 162.6044 163.2800 163.8755 164.3520 165.4357 166.9436 167.9288 169.1274 170.2969 171.5205 172.1548 172.8030 172.8889 174.4527 175.7568 177.6142 178.0613 178.6735 180.6165 182.2675 185.2057 186.5101 186.8141 187.3653 188.9695 189.3918 192.0408 192.3497 193.3309 195.1399 196.2010 198.8709 202.0684 204.7657 206.4550 206.9149 221.3397 221.6849 222.4029 222.9270 222.9467 223.5345 225.7576 225.9699 227.8923 229.2761 294.5014 294.7662 295.7109 297.1173 308.5253 313.3183 609.1415 618.0299 620.8699 625.9608 629.2213 630.5095 631.6325 632.3392 634.0846 634.2842 635.1647 635.4270 636.6740 636.7793 637.4987 639.4933 642.1845 642.8228 647.5934 650.6129 657.2478 658.0237 701.4775 707.6257 876.2613 1200.0398 1212.7260 1214.6497 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.056890 -0.061776 -0.281419 -0.461385 -0.336069 -0.101132 0.092021 0.032298 -0.071195 -0.266895 -0.266612 -0.203000 0.391402 0.038984 0.415886 0.019756 -0.220275 -0.195287 -0.235004 0.281925 -0.126323 -0.228610 0.300476 -0.258804 -0.205677 -0.119779 -0.140286 -0.193241 0.079247 0.101842 0.094392 0.099262 0.101156 0.094107 0.101992 0.098724 0.134417 0.144896 0.149203 0.150002 0.161972 0.151073 0.148633 0.160014 0.161474 0.162720 0.161783 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 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 17.0569 17.0618 8.2814 8.4614 8.3361 7.1011 5.9080 5.9677 6.0712 6.2669 6.2666 6.2030 5.6086 5.9610 5.5841 5.9802 6.2203 6.1953 6.2350 5.7181 6.1263 6.2286 5.6995 6.2588 6.2057 6.1198 6.1403 6.1932 0.9208 0.8982 0.9056 0.9007 0.8988 0.9059 0.8980 0.9013 0.8656 0.8551 0.8508 0.8500 0.8380 0.8489 0.8514 0.8400 0.8385 0.8373 0.8382 17.0000 17.0000 8.0000 8.0000 8.0000 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 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0569 -0.0618 -0.2814 -0.4614 -0.3361 -0.1011 0.0920 0.0323 -0.0712 -0.2669 -0.2666 -0.2030 0.3914 0.0390 0.4159 0.0198 -0.2203 -0.1953 -0.2350 0.2819 -0.1263 -0.2286 0.3005 -0.2588 -0.2057 -0.1198 -0.1403 -0.1932 0.0792 0.1018 0.0944 0.0993 0.1012 0.0941 0.1020 0.0987 0.1344 0.1449 0.1492 0.1500 0.1620 0.1511 0.1486 0.1600 0.1615 0.1627 0.1618 1.2684 1.2429 2.1281 2.0493 2.0726 3.1093 3.7379 3.8807 3.8355 3.9049 3.9060 3.8961 4.1923 4.2079 3.7115 3.5907 4.0855 3.9657 3.9602 3.7229 3.9090 4.0055 3.6668 4.0116 3.9163 3.8737 3.8808 3.9035 1.0477 1.0320 1.0171 1.0004 1.0004 1.0050 1.0008 1.0013 1.0167 1.0172 1.0058 1.0116 0.9883 1.0044 1.0077 0.9959 0.9879 0.9890 0.9893 1.2684 1.2429 2.1281 2.0493 2.0726 3.1093 3.7379 3.8807 3.8355 3.9049 3.9060 3.8961 4.1923 4.2079 3.7115 3.5907 4.0855 3.9657 3.9602 3.7229 3.9090 4.0055 3.6668 4.0116 3.9163 3.8737 3.8808 3.9035 1.0477 1.0320 1.0171 1.0004 1.0004 1.0050 1.0008 1.0013 1.0167 1.0172 1.0058 1.0116 0.9883 1.0044 1.0077 0.9959 0.9879 0.9890 0.9893 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1860 1.1593 1.1446 0.8524 1.8887 0.9586 0.9222 3.0542 0.9074 0.8495 0.9520 0.9511 0.9266 1.0383 0.9900 1.0351 1.0119 0.9855 0.9933 0.9878 0.9877 0.9933 0.9868 1.8524 0.9514 0.8788 0.9360 0.9829 1.3792 1.3341 1.3743 0.9549 1.4396 0.9926 1.3844 1.4275 0.9826 0.9826 1.3804 1.3498 1.4303 0.9845 1.4189 0.9694 1.4027 0.9782 1.4104 0.9760 0.9822 0 13 1 13 2 12 2 14 3 12 4 19 4 22 5 16 6 7 6 8 6 9 6 10 7 8 7 11 7 28 8 12 8 29 9 30 9 31 9 32 10 33 10 34 10 35 11 13 11 36 14 15 14 16 14 37 15 17 15 18 17 19 17 38 18 20 18 39 19 21 20 21 20 40 21 41 22 23 22 24 23 25 23 42 24 26 24 43 25 27 25 44 26 27 26 45 27 46 -0.023371228 -2050.696270888567 21.84748 -21.47854 0.36894 26.37023 -26.32187 0.04836 9.68619 -8.40583 1.28036 1.33334 3.38907