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:-.3967,4.3824,-2.6326;-2.7655,6.022,-2.4575;.703,.7881,-.971;1.6736,2.1972,.4755;.5165,-4.3764,.2504;2.0306,-.7713,-3.5721;-1.2838,2.7783,1.315;-.8126,3.8446,.3838;-.6596,2.3977,-.0193;-.5411,2.5585,2.6097;-2.7661,2.5108,1.4238;-1.7601,4.7112,-.3514;.6951,1.8217,-.1123;-1.6542,4.9979,-1.6422;1.9205,.0583,-1.0977;1.9544,-1.083,-.1115;1.9688,-.4054,-2.4854;1.2206,-2.2351,-.354;2.6685,-.9426,1.0715;1.2129,-3.2587,.5826;2.6506,-1.9705,2.0007;1.9306,-3.1308,1.7669;.0412,-5.2012,1.2328;.4091,-6.5363,1.1988;-.8309,-4.7302,2.2053;-.1055,-7.41,2.1456;-1.3311,-5.6112,3.1508;-.9719,-6.9515,3.1254;.1191,4.3273,.6693;-1.3561,2.0261,-.7616;-.9802,3.1811,3.3914;.5149,2.8061,2.542;-.6228,1.5189,2.9321;-2.9445,1.4851,1.7493;-3.2891,2.6519,.4777;-3.2242,3.1741,2.1602;-2.5796,5.1622,.1961;2.7799,.7156,-.9345;.6627,-2.3602,-1.2743;3.2269,-.0374,1.2675;3.2118,-1.8733,2.9203;1.9388,-3.9299,2.4964;1.0856,-6.8843,.4298;-1.1202,-3.687,2.2182;.1785,-8.4534,2.1167;-2.0124,-5.2475,3.9081;-1.3693,-7.6347,3.8638; 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 2709.4973244229 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.973e-06 Time for diagonalization 0.579 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.543 sec Total time needed 1.135 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:-.3967,4.3824,-2.6326;-2.7655,6.022,-2.4575;.703,.7881,-.971;1.6736,2.1972,.4755;.5165,-4.3764,.2504;2.0306,-.7713,-3.5721;-1.2838,2.7783,1.315;-.8126,3.8446,.3838;-.6596,2.3977,-.0193;-.5411,2.5585,2.6097;-2.7661,2.5108,1.4238;-1.7601,4.7112,-.3514;.6951,1.8217,-.1123;-1.6542,4.9979,-1.6422;1.9205,.0583,-1.0977;1.9544,-1.083,-.1115;1.9688,-.4054,-2.4854;1.2206,-2.2351,-.354;2.6685,-.9426,1.0715;1.2129,-3.2587,.5826;2.6506,-1.9705,2.0007;1.9306,-3.1308,1.7669;.0412,-5.2012,1.2328;.4091,-6.5363,1.1988;-.8309,-4.7302,2.2053;-.1055,-7.41,2.1456;-1.3311,-5.6112,3.1508;-.9719,-6.9515,3.1254;.1191,4.3273,.6693;-1.3561,2.0261,-.7616;-.9802,3.1811,3.3914;.5149,2.8061,2.542;-.6228,1.5189,2.9321;-2.9445,1.4851,1.7493;-3.2891,2.6519,.4777;-3.2242,3.1741,2.1602;-2.5796,5.1622,.1961;2.7799,.7156,-.9345;.6627,-2.3602,-1.2743;3.2269,-.0374,1.2675;3.2118,-1.8733,2.9203;1.9388,-3.9299,2.4964;1.0856,-6.8843,.4298;-1.1202,-3.687,2.2182;.1785,-8.4534,2.1167;-2.0124,-5.2475,3.9081;-1.3693,-7.6347,3.8638; 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 4 397.1462999999997 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:-.3967,4.3824,-2.6326;-2.7655,6.022,-2.4575;.703,.7881,-.971;1.6736,2.1972,.4755;.5165,-4.3764,.2504;2.0306,-.7713,-3.5721;-1.2838,2.7783,1.315;-.8126,3.8446,.3838;-.6596,2.3977,-.0193;-.5411,2.5585,2.6097;-2.7661,2.5108,1.4238;-1.7601,4.7112,-.3514;.6951,1.8217,-.1123;-1.6542,4.9979,-1.6422;1.9205,.0583,-1.0977;1.9544,-1.083,-.1115;1.9688,-.4054,-2.4854;1.2206,-2.2351,-.354;2.6685,-.9426,1.0715;1.2129,-3.2587,.5826;2.6506,-1.9705,2.0007;1.9306,-3.1308,1.7669;.0412,-5.2012,1.2328;.4091,-6.5363,1.1988;-.8309,-4.7302,2.2053;-.1055,-7.41,2.1456;-1.3311,-5.6112,3.1508;-.9719,-6.9515,3.1254;.1191,4.3273,.6693;-1.3561,2.0261,-.7616;-.9802,3.1811,3.3914;.5149,2.8061,2.542;-.6228,1.5189,2.9321;-2.9445,1.4851,1.7493;-3.2891,2.6519,.4777;-3.2242,3.1741,2.1602;-2.5796,5.1622,.1961;2.7799,.7156,-.9345;.6627,-2.3602,-1.2743;3.2269,-.0374,1.2675;3.2118,-1.8733,2.9203;1.9388,-3.9299,2.4964;1.0856,-6.8843,.4298;-1.1202,-3.687,2.2182;.1785,-8.4534,2.1167;-2.0124,-5.2475,3.9081;-1.3693,-7.6347,3.8638; -2050.65986089 2709.49732442 -4760.15718531 -8194.39297608 3434.23579077 -4095.20274355 2044.54288266 2.00299186 108.000204458347 108.000204458347 216.000408916694 -151.871557127484 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 -2765.7566 -2765.7279 -525.2480 -524.7428 -523.3728 -392.6933 -283.7117 -283.0645 -282.9219 -281.9055 -281.6994 -280.9045 -280.8917 -280.6634 -280.6406 -280.5667 -280.5481 -280.2332 -280.1434 -280.1331 -280.1319 -280.1071 -280.0737 -280.0682 -280.0041 -279.9624 -279.8567 -279.6310 -261.0246 -260.9962 -199.8675 -199.8411 -199.6227 -199.6092 -199.5895 -199.5835 -34.1610 -33.1800 -31.5860 -28.6508 -28.2003 -27.8922 -27.3585 -26.9025 -26.1347 -25.4967 -24.4711 -24.3188 -23.9717 -23.7951 -23.3361 -23.2140 -22.3839 -21.4072 -20.7662 -20.3647 -20.0314 -19.5396 -19.1848 -18.6641 -18.3249 -18.0687 -17.6842 -17.3149 -17.1806 -16.5088 -16.4175 -16.3112 -16.2840 -16.1049 -15.9962 -15.7727 -15.2397 -15.1704 -14.9967 -14.8283 -14.6098 -14.5676 -14.2397 -14.2039 -14.0863 -14.0025 -13.8435 -13.4956 -13.4116 -13.2190 -13.1784 -13.1354 -12.9439 -12.7747 -12.7380 -12.4781 -12.3996 -12.1704 -12.1143 -12.1055 -11.9175 -11.8152 -11.4234 -11.3363 -10.9996 -10.8181 -10.5948 -9.8666 -9.6622 -9.5408 -9.4071 -8.7372 0.8114 1.2105 1.2856 1.4803 1.7793 1.9532 2.4365 2.6895 2.7604 3.0266 3.2296 3.4791 3.5638 3.7265 3.7748 3.9552 4.1451 4.2315 4.3451 4.4211 4.5999 4.6809 4.8164 4.8479 4.9866 5.1100 5.1707 5.3727 5.5695 5.7045 5.8006 5.8661 5.9073 5.9421 6.1515 6.2448 6.2972 6.5008 6.8501 6.9148 7.0316 7.1842 7.2936 7.3740 7.4438 7.5475 7.6853 7.7267 7.8311 7.8856 7.9274 8.0049 8.1237 8.2447 8.3565 8.4131 8.4519 8.5354 8.5664 8.8582 8.9989 9.0444 9.1864 9.2208 9.3020 9.3955 9.4853 9.5802 9.7119 9.8657 9.8865 9.9917 10.0923 10.1486 10.3040 10.4401 10.5201 10.6382 10.7134 10.8934 10.9188 11.0520 11.1212 11.1950 11.3209 11.4117 11.4640 11.6000 11.6939 11.7526 11.8208 11.8735 11.9652 12.0832 12.1492 12.2539 12.3267 12.4595 12.5022 12.6273 12.7305 12.8551 12.9575 12.9739 13.0580 13.2025 13.2470 13.3386 13.4882 13.5379 13.6237 13.7165 13.7744 13.8370 13.9230 14.0165 14.1251 14.1639 14.2133 14.2364 14.3979 14.5579 14.6068 14.6477 14.8412 14.9578 14.9885 15.0874 15.1756 15.3493 15.4085 15.4735 15.5138 15.5671 15.6821 15.7247 15.8573 15.9953 16.0495 16.1601 16.1859 16.3201 16.4448 16.5570 16.6236 16.8977 16.9671 17.1438 17.1883 17.4223 17.4413 17.6324 17.6746 17.8522 17.9138 18.0772 18.1572 18.4388 18.5441 18.7055 18.8519 18.9556 19.1382 19.2667 19.5368 19.6214 19.7764 19.9237 19.9457 20.1909 20.2443 20.3173 20.3724 20.5296 20.5994 20.6911 20.8422 21.0083 21.0772 21.1890 21.2650 21.3358 21.5493 21.6363 21.7487 21.9011 22.0537 22.2076 22.3065 22.6426 22.6986 22.8594 22.9900 23.0472 23.2068 23.2891 23.5065 23.5905 23.6805 23.9391 24.0480 24.1814 24.2665 24.4469 24.6068 24.7159 24.8479 24.8799 25.1576 25.4387 25.6589 25.8472 25.9164 26.1668 26.3523 26.5263 26.6696 26.7591 26.9866 27.0402 27.1546 27.2124 27.4237 27.4491 27.6029 27.8395 27.9212 28.1809 28.2694 28.4674 28.5583 28.7125 28.7880 28.8723 28.9480 29.1308 29.2278 29.3402 29.4151 29.5282 29.5850 29.6084 29.9029 30.0046 30.1836 30.4772 30.5801 30.5987 30.7362 30.9118 31.1082 31.1794 31.3395 31.4359 31.7418 31.7826 31.9821 31.9990 32.1777 32.4613 32.4921 32.6538 32.7169 32.8248 32.9884 33.1790 33.3570 33.4272 33.6441 33.7804 33.9586 33.9899 34.0978 34.2342 34.3866 34.4603 34.5483 34.8913 35.0457 35.2134 35.3506 35.4731 35.5936 35.7268 35.8855 36.0517 36.2489 36.3198 36.5099 36.6220 36.8529 36.9545 37.0442 37.1348 37.2627 37.3858 37.5126 37.5821 37.6859 37.8427 37.9370 38.0360 38.1762 38.2655 38.3614 38.6039 38.6961 38.7558 38.8767 38.9617 39.0730 39.1969 39.3978 39.6987 39.8039 39.8416 39.9298 40.0983 40.2727 40.5104 40.6234 40.8053 40.8586 41.0196 41.1510 41.4017 41.5107 41.6818 41.8729 42.0120 42.2563 42.3172 42.3654 42.5510 42.6294 42.6732 42.9306 43.0226 43.1355 43.2647 43.3174 43.5823 43.6747 43.7273 43.8540 44.0764 44.2687 44.2759 44.3820 44.5481 44.6584 44.7748 44.7870 45.0027 45.2536 45.5024 45.6258 45.6870 45.8979 46.0650 46.1801 46.3679 46.4481 46.7703 46.9302 46.9885 47.0920 47.3241 47.3892 47.5439 47.7345 47.8535 48.0191 48.1369 48.2658 48.5674 48.8348 49.1779 49.2712 49.4914 49.6655 49.8186 50.0302 50.1877 50.3592 50.5112 50.6793 50.8200 50.9184 51.0628 51.3165 51.3860 51.4499 51.6813 51.7435 51.8472 51.9485 52.0894 52.3133 52.5415 52.6040 52.8673 52.9652 53.1086 53.4211 53.5137 53.7516 54.0426 54.3339 54.5637 54.7842 54.8742 55.0491 55.1753 55.2720 55.6713 55.8199 56.0530 56.1767 56.2827 56.6833 56.7900 56.8823 57.1030 57.2237 57.2894 57.4872 57.7872 57.9473 58.1645 58.4612 58.6065 58.8706 59.0389 59.1258 59.3569 59.3922 59.5359 59.6370 59.9353 59.9641 60.2698 60.4307 60.5554 60.7464 61.2899 61.5009 61.6152 61.6689 61.9588 62.0135 62.6621 62.8290 63.0250 63.0973 63.2619 63.5048 63.5339 63.6977 63.8838 63.9925 64.1523 64.3166 64.6699 64.8077 65.2046 65.2571 65.4327 65.7077 65.7483 66.1428 66.2590 66.3145 66.4508 66.8716 67.0043 67.1325 67.2610 67.3341 67.4833 67.6763 67.7934 68.0619 68.3412 68.5349 68.7376 68.8967 69.1365 69.3516 69.5438 69.8536 70.2874 70.6255 71.1221 71.2386 71.6824 71.6912 71.8945 72.1790 72.3916 72.7386 73.0288 73.3437 73.5522 73.8314 73.9146 74.1698 74.4639 74.5792 74.8214 74.9405 75.1217 75.2681 75.3439 75.5534 75.7660 75.9380 76.2950 76.4202 76.6261 76.7731 76.9434 77.0097 77.1087 77.3273 77.5742 77.6820 77.7944 77.9538 78.0573 78.2064 78.3869 78.4401 78.6684 78.7418 78.9235 79.0101 79.0366 79.1659 79.3209 79.4526 79.6131 79.9315 80.1951 80.2594 80.4332 80.5386 80.8226 80.9286 81.1730 81.2716 81.3898 81.5231 81.5901 81.7703 81.8316 82.0567 82.1900 82.2286 82.3881 82.5116 82.7438 82.8044 82.9370 83.0943 83.1870 83.4631 83.6133 83.8312 83.8806 83.9782 84.2308 84.3052 84.4678 84.5137 84.7574 84.9153 85.0209 85.1005 85.1608 85.2881 85.3212 85.5081 85.6105 85.6788 85.8065 85.8371 86.0621 86.0744 86.2599 86.4173 86.4985 86.5962 86.8741 87.1324 87.2287 87.4360 87.6181 87.6488 87.7679 88.0961 88.1617 88.3270 88.4168 88.4872 88.6093 88.7414 88.8072 88.8876 89.0135 89.1040 89.1392 89.2597 89.3927 89.4531 89.6941 89.7026 89.7828 90.1696 90.2714 90.3403 90.4077 90.6743 90.8108 90.9188 91.0344 91.1595 91.4887 91.6692 91.7131 91.8976 92.0787 92.2052 92.3623 92.4846 92.5020 92.6997 92.8300 92.8607 92.9905 93.0245 93.2250 93.3565 93.3865 93.5543 93.6637 93.7831 93.9973 94.1656 94.2368 94.3417 94.4063 94.5568 94.6656 94.8623 94.9256 95.1353 95.2303 95.2758 95.4687 95.5067 95.6788 95.8474 95.9969 96.1264 96.2935 96.4236 96.4740 96.6282 96.8023 96.9672 97.1209 97.1553 97.4244 97.5564 97.6197 97.7466 98.0176 98.0428 98.1896 98.2823 98.4844 98.6342 98.6781 99.0325 99.0788 99.2555 99.4595 99.5591 99.7147 99.8923 100.2346 100.3201 100.4018 100.7117 100.7571 101.1778 101.2084 101.5437 101.8460 101.9847 102.1105 102.2682 102.5863 102.8133 103.1430 103.2399 103.4422 103.7812 104.0519 104.1038 104.2924 104.4247 104.6868 104.8641 105.0126 105.1457 105.2381 105.2715 105.3626 105.4399 105.5183 105.7238 105.9293 106.0153 106.0585 106.2527 106.4071 106.5771 106.6101 106.7215 106.9778 107.0898 107.2575 107.4476 107.8347 107.9013 108.0803 108.2296 108.4063 108.5510 108.7035 109.0219 109.1830 109.2320 109.4652 109.5576 109.9321 110.0775 110.4018 110.5309 110.7468 110.7614 110.8319 110.8750 110.9799 111.2544 111.2661 111.4194 111.7326 112.0038 112.0565 112.2893 112.3457 112.4685 112.8983 113.0271 113.1111 113.2126 113.3129 113.6995 113.8509 114.1007 114.1261 114.2455 114.5644 114.6342 114.8221 114.8952 115.0700 115.2060 115.2986 115.7876 115.8658 115.9834 116.1382 116.2229 116.4497 116.5337 116.8084 116.9580 117.0446 117.1156 117.2016 117.5462 117.6166 117.6922 117.7048 118.0151 118.1076 118.1730 118.2655 118.4151 118.6481 118.8226 118.8666 119.0563 119.1182 119.5102 119.6665 119.7494 119.8739 119.9973 120.1679 120.3051 120.5962 120.7387 120.8810 121.1495 121.3653 121.5872 121.7533 122.0995 122.3267 122.4852 122.8296 122.8822 123.2644 123.4463 123.5154 123.9017 124.0450 124.5115 124.8273 125.1420 125.6053 125.7146 125.8080 126.3597 126.4381 126.9734 127.1465 127.3422 127.5859 127.9372 128.2538 128.2838 128.4511 128.5650 128.9184 129.0342 129.1509 129.4991 129.6303 129.9287 130.0734 130.1723 130.2193 130.4404 130.8031 131.0347 131.3170 131.3994 131.5930 131.8795 131.9747 132.1048 132.3418 132.6070 132.7465 132.8458 133.1180 133.6298 133.7510 133.9498 134.3151 134.6930 134.7984 135.0831 135.2073 135.2886 135.7084 136.0186 136.3704 136.7578 137.3579 137.4748 137.8893 138.0203 138.2607 138.3096 138.4414 138.8727 139.1165 139.4339 140.0991 140.2501 140.7007 140.9781 141.0779 141.8167 141.8557 142.2469 142.3667 143.5589 143.6163 143.9598 143.9777 144.0677 144.1660 144.3353 144.4992 144.6267 145.0962 145.2742 145.5028 145.6340 145.8692 146.0622 146.5186 146.7358 146.8863 147.3354 147.5025 147.6287 147.9587 148.0484 148.1404 148.4558 148.6856 149.0951 149.4647 149.6309 149.7707 150.1203 150.3262 150.5124 151.1145 151.3062 151.8953 152.0093 152.1880 152.3260 153.1944 153.5709 153.8960 154.2783 154.7583 154.8243 155.2975 155.5315 155.7117 156.4296 156.9570 157.1064 157.1996 157.5021 157.5636 158.4930 158.9777 159.1491 159.2542 159.4056 159.6235 160.4100 160.8491 161.1557 161.6528 161.8616 162.1960 163.9690 164.5582 165.5718 167.1568 168.1023 168.8598 169.6879 172.3355 172.6655 172.8100 173.2469 174.0488 175.6643 177.3354 178.7387 179.3312 181.2749 182.3216 184.8974 185.6465 186.5825 187.3309 189.2209 189.8655 191.7241 192.6073 193.5965 196.1217 196.2887 198.7701 201.5770 204.9531 206.5261 206.6819 221.3111 222.1083 222.3407 222.9539 223.3153 223.7666 225.7887 226.1060 228.1115 229.5421 294.5716 294.9052 295.8666 298.2316 308.7095 313.3122 607.3496 618.0084 620.3113 625.1001 629.7870 631.2705 631.5636 632.3105 633.9607 633.9990 634.4981 635.2236 636.4350 636.6387 637.5148 639.7117 641.9209 642.6670 647.2767 650.2292 657.2047 658.0838 704.0884 709.4380 876.7938 1200.3878 1212.9454 1215.2306 -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 -0.026895 -0.039193 -0.253986 -0.388508 -0.291566 -0.002157 0.111425 -0.015545 -0.163877 -0.254033 -0.268109 -0.246691 0.386720 0.091975 0.324880 -0.003486 -0.262801 -0.184553 -0.136417 0.192566 -0.122590 -0.144728 0.209400 -0.182338 -0.149660 -0.104397 -0.119009 -0.129871 0.109985 0.107774 0.087277 0.103618 0.089147 0.095662 0.089177 0.093471 0.118610 0.122479 0.122105 0.125119 0.130397 0.133960 0.128793 0.132152 0.128091 0.127697 0.127932 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 17.0269 17.0392 8.2540 8.3885 8.2916 7.0022 5.8886 6.0155 6.1639 6.2540 6.2681 6.2467 5.6133 5.9080 5.6751 6.0035 6.2628 6.1846 6.1364 5.8074 6.1226 6.1447 5.7906 6.1823 6.1497 6.1044 6.1190 6.1299 0.8900 0.8922 0.9127 0.8964 0.9109 0.9043 0.9108 0.9065 0.8814 0.8775 0.8779 0.8749 0.8696 0.8660 0.8712 0.8678 0.8719 0.8723 0.8721 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 -0.0269 -0.0392 -0.2540 -0.3885 -0.2916 -0.0022 0.1114 -0.0155 -0.1639 -0.2540 -0.2681 -0.2467 0.3867 0.0920 0.3249 -0.0035 -0.2628 -0.1846 -0.1364 0.1926 -0.1226 -0.1447 0.2094 -0.1823 -0.1497 -0.1044 -0.1190 -0.1299 0.1100 0.1078 0.0873 0.1036 0.0891 0.0957 0.0892 0.0935 0.1186 0.1225 0.1221 0.1251 0.1304 0.1340 0.1288 0.1322 0.1281 0.1277 0.1279 1.3063 1.2667 2.1272 2.1112 2.1112 3.1162 3.7294 3.8433 3.8933 3.9012 3.9153 3.9067 4.1580 4.2074 3.8131 3.7297 4.0318 4.0972 3.9637 3.9135 3.9751 3.9268 3.8313 4.0296 3.9640 3.9371 3.9443 3.9497 1.0245 1.0248 1.0029 1.0209 1.0018 1.0060 1.0009 1.0013 1.0172 1.0206 1.0295 1.0205 1.0010 1.0050 1.0118 1.0032 0.9990 0.9998 0.9997 1.3063 1.2667 2.1272 2.1112 2.1112 3.1162 3.7294 3.8433 3.8933 3.9012 3.9153 3.9067 4.1580 4.2074 3.8131 3.7297 4.0318 4.0972 3.9637 3.9135 3.9751 3.9268 3.8313 4.0296 3.9640 3.9371 3.9443 3.9497 1.0245 1.0248 1.0029 1.0209 1.0018 1.0060 1.0009 1.0013 1.0172 1.0206 1.0295 1.0205 1.0010 1.0050 1.0118 1.0032 0.9990 0.9998 0.9997 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 1.2109 1.1508 1.1376 0.8619 1.9235 1.0135 0.9188 3.0577 0.9570 0.8498 0.9598 0.9314 0.9202 0.9735 0.9961 1.0137 1.0252 0.9902 0.9829 0.9915 0.9897 0.9887 0.9960 1.8681 0.9766 0.9363 0.9147 0.9976 1.4414 1.3464 1.4554 0.9361 1.4605 0.9756 1.3570 1.4344 0.9710 0.9597 1.4330 1.3851 1.4294 0.9710 1.4332 0.9662 1.4311 0.9733 1.4276 0.9723 0.9756 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 -0.023881434 -2050.683742321024 -1.28165 0.52103 -0.76062 -27.58905 27.29430 -0.29475 34.83008 -32.41709 2.41299 2.54714 6.47432