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:-1.395,-.0883,-1.5392;-3.814,1.0002,-2.6954;1.5658,1.6138,.5849;.3163,.7164,2.2108;.5103,-3.841,.2879;4.8313,1.6484,.0466;-.6152,3.7926,.3959;-.7614,2.7457,-.6549;-.6737,2.331,.8014;.6709,4.5795,.474;-1.8285,4.6051,.7847;-2.0198,2.5042,-1.3917;.4291,1.483,1.2946;-2.3695,1.2978,-1.8195;2.5502,.5964,.7612;2.1834,-.602,-.0791;3.8221,1.1958,.3556;1.5829,-1.6896,.5398;2.3391,-.5679,-1.4583;1.1066,-2.741,-.2345;1.8826,-1.6334,-2.2167;1.2568,-2.7124,-1.6159;-.0522,-3.8007,1.536;.3041,-4.7969,2.4309;-.985,-2.8323,1.8842;-.2815,-4.8257,3.6878;-1.5516,-2.8651,3.1483;-1.2051,-3.8585,4.0533;.1369,2.5423,-1.2308;-1.6092,2.0364,1.263;.5791,5.4891,-.1217;1.5344,4.0331,.1044;.878,4.8806,1.5021;-1.9551,5.4525,.1085;-1.7141,5.0027,1.7936;-2.7497,4.0224,.7654;-2.6789,3.334,-1.6166;2.6311,.3147,1.8153;1.4681,-1.6998,1.6154;2.8139,.2773,-1.94;2.0036,-1.62,-3.2913;.8872,-3.5394,-2.2076;1.0308,-5.5432,2.1383;-1.2619,-2.0558,1.1822;-.006,-5.6053,4.3855;-2.2707,-2.1059,3.4246;-1.6545,-3.8785,5.0369; 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 2926.6123670407 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 6.718e-06 Time for diagonalization 0.522 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.487 sec Total time needed 1.021 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:-1.395,-.0883,-1.5392;-3.814,1.0002,-2.6954;1.5658,1.6138,.5849;.3163,.7164,2.2108;.5103,-3.841,.2879;4.8313,1.6484,.0466;-.6152,3.7926,.3959;-.7614,2.7457,-.6549;-.6737,2.331,.8014;.6709,4.5795,.474;-1.8285,4.6051,.7847;-2.0198,2.5042,-1.3917;.4291,1.483,1.2946;-2.3695,1.2978,-1.8195;2.5502,.5964,.7612;2.1834,-.602,-.0791;3.8221,1.1958,.3556;1.5829,-1.6895,.5398;2.3391,-.5679,-1.4583;1.1066,-2.741,-.2345;1.8826,-1.6334,-2.2167;1.2568,-2.7124,-1.6159;-.0522,-3.8007,1.536;.3041,-4.7969,2.4309;-.985,-2.8323,1.8842;-.2815,-4.8257,3.6878;-1.5516,-2.8651,3.1483;-1.2051,-3.8585,4.0533;.1369,2.5423,-1.2308;-1.6092,2.0364,1.263;.5791,5.4891,-.1217;1.5344,4.0331,.1044;.878,4.8806,1.5021;-1.9551,5.4525,.1085;-1.7141,5.0027,1.7936;-2.7497,4.0224,.7654;-2.6789,3.334,-1.6166;2.6311,.3147,1.8153;1.4681,-1.6998,1.6154;2.8139,.2773,-1.94;2.0036,-1.62,-3.2913;.8872,-3.5394,-2.2076;1.0308,-5.5432,2.1383;-1.2619,-2.0558,1.1822;-.006,-5.6053,4.3855;-2.2707,-2.1059,3.4246;-1.6545,-3.8785,5.0369; 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:-1.395,-.0883,-1.5392;-3.814,1.0002,-2.6954;1.5658,1.6138,.5849;.3163,.7164,2.2108;.5103,-3.841,.2879;4.8313,1.6484,.0466;-.6152,3.7926,.3959;-.7614,2.7457,-.6549;-.6737,2.331,.8014;.6709,4.5795,.474;-1.8285,4.6051,.7847;-2.0198,2.5042,-1.3917;.4291,1.483,1.2946;-2.3695,1.2978,-1.8195;2.5502,.5964,.7612;2.1834,-.602,-.0791;3.8221,1.1958,.3556;1.5829,-1.6896,.5398;2.3391,-.5679,-1.4583;1.1066,-2.741,-.2345;1.8826,-1.6334,-2.2167;1.2568,-2.7124,-1.6159;-.0522,-3.8007,1.536;.3041,-4.7969,2.4309;-.985,-2.8323,1.8842;-.2815,-4.8257,3.6878;-1.5516,-2.8651,3.1483;-1.2051,-3.8585,4.0533;.1369,2.5423,-1.2308;-1.6092,2.0364,1.263;.5791,5.4891,-.1217;1.5344,4.0331,.1044;.878,4.8806,1.5021;-1.9551,5.4525,.1085;-1.7141,5.0027,1.7936;-2.7497,4.0224,.7654;-2.6789,3.334,-1.6166;2.6311,.3147,1.8153;1.4681,-1.6998,1.6154;2.8139,.2773,-1.94;2.0036,-1.62,-3.2913;.8872,-3.5394,-2.2076;1.0308,-5.5432,2.1383;-1.2619,-2.0558,1.1822;-.006,-5.6053,4.3855;-2.2707,-2.1059,3.4246;-1.6545,-3.8785,5.0369; -2050.65625435 2926.61236704 -4977.26862139 -8628.64607937 3651.37745799 -4095.19743720 2044.54118285 2.00299093 108.000091373323 108.000091373323 216.000182746646 -151.873515108249 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 -2765.8410 -2765.7969 -525.2727 -524.7047 -523.3580 -392.7933 -283.7316 -283.0952 -283.0067 -281.8753 -281.5643 -281.0070 -280.9722 -280.6970 -280.6621 -280.6182 -280.6075 -280.1883 -280.1467 -280.0588 -280.0537 -279.9453 -279.9313 -279.9164 -279.8758 -279.8561 -279.7832 -279.7250 -261.1046 -261.0645 -199.9469 -199.9095 -199.7038 -199.6901 -199.6576 -199.6524 -34.1885 -33.1200 -31.5837 -28.7089 -28.2999 -27.9659 -27.3146 -26.7658 -26.2076 -25.4792 -24.3961 -24.2765 -23.9004 -23.7725 -23.4480 -23.0364 -22.4604 -21.3994 -20.7795 -20.2372 -19.8672 -19.5539 -19.3449 -18.8986 -18.3248 -18.1690 -17.6322 -17.2201 -16.8392 -16.6301 -16.4635 -16.3851 -16.3071 -16.0005 -15.8772 -15.6773 -15.3480 -15.0702 -14.9483 -14.8498 -14.5215 -14.4437 -14.3550 -14.1751 -14.0525 -13.9840 -13.7785 -13.5554 -13.4803 -13.2194 -13.1924 -13.0269 -12.8753 -12.8372 -12.6451 -12.4831 -12.3654 -12.2428 -12.1891 -12.1231 -11.9232 -11.7729 -11.6062 -11.3881 -11.2288 -11.0518 -10.3259 -9.8164 -9.5320 -9.4612 -9.3707 -8.5829 0.8170 1.0828 1.3331 1.6427 1.9377 1.9735 2.2782 2.5805 2.7854 2.8974 3.2078 3.3778 3.4581 3.7024 3.8633 3.9771 4.0528 4.2431 4.4133 4.5169 4.6221 4.8322 4.8696 4.9168 5.0421 5.2373 5.3038 5.5106 5.6721 5.7138 5.8282 5.9908 5.9944 6.1528 6.1852 6.2718 6.3540 6.5893 6.6480 6.9224 7.1183 7.1532 7.2789 7.4604 7.5534 7.5962 7.6980 7.7765 7.8186 7.9199 8.0028 8.1623 8.2730 8.3668 8.3841 8.5085 8.6258 8.6840 8.7685 8.9110 9.0403 9.1025 9.1808 9.2935 9.3294 9.4171 9.4746 9.6436 9.7187 9.8084 9.9101 10.0776 10.1645 10.3832 10.4539 10.7012 10.7336 10.9285 10.9954 11.0336 11.1239 11.1983 11.2234 11.4062 11.5024 11.5744 11.6609 11.7240 11.7578 11.8332 11.9091 11.9995 12.1319 12.2688 12.3862 12.4966 12.5570 12.6672 12.7170 12.8213 12.9060 12.9260 13.0325 13.1156 13.2929 13.3880 13.4979 13.6347 13.6476 13.7336 13.7452 13.8515 13.9072 13.9896 14.0897 14.2435 14.2692 14.3873 14.5453 14.6007 14.6644 14.8114 14.8583 14.9164 14.9499 15.0794 15.1382 15.2417 15.4846 15.5008 15.5908 15.7769 15.8223 15.8756 15.9226 16.0372 16.0716 16.2574 16.3924 16.4340 16.5240 16.6243 16.8153 16.8835 17.1203 17.1932 17.2270 17.3216 17.4481 17.5364 17.7053 17.8870 18.0077 18.1110 18.2089 18.5594 18.6489 18.8355 18.9283 19.0367 19.1672 19.3515 19.4274 19.5948 19.6795 19.8449 20.0841 20.2099 20.2861 20.3915 20.4398 20.5446 20.7238 20.8065 20.8919 21.0049 21.0659 21.3852 21.4931 21.5312 21.6736 21.8202 21.9142 22.0476 22.1119 22.2577 22.3927 22.5031 22.6025 22.6586 22.8640 22.9742 23.0251 23.2183 23.4260 23.4782 23.5991 23.8838 24.0315 24.2621 24.4396 24.4483 24.7605 24.9249 25.0000 25.1079 25.2350 25.4724 25.5778 25.7046 25.8468 26.0456 26.2375 26.3506 26.4786 26.6717 26.7106 26.9023 26.9668 27.2120 27.2785 27.3535 27.4984 27.6164 27.6348 28.0528 28.1400 28.2224 28.4116 28.5962 28.8297 28.8668 29.0056 29.1005 29.1204 29.3651 29.3966 29.5331 29.6367 29.6701 29.8332 30.0367 30.0884 30.1349 30.3489 30.4971 30.7273 30.9686 31.0107 31.2045 31.4431 31.5765 31.7015 31.7782 31.8338 32.0858 32.2406 32.3653 32.4310 32.5837 32.7195 32.8048 32.9587 33.0792 33.1954 33.3150 33.5149 33.6219 33.7440 33.7928 34.0799 34.2596 34.3063 34.3624 34.6145 34.8681 35.0077 35.1312 35.2696 35.5104 35.6482 35.6730 35.7590 35.9472 36.0395 36.2922 36.3734 36.6584 36.7646 36.8712 36.9251 37.0576 37.2033 37.4700 37.5023 37.5990 37.7123 37.8992 37.9956 38.0949 38.1732 38.2765 38.3663 38.4547 38.6832 38.7423 38.8800 38.9474 39.1222 39.1731 39.3028 39.3890 39.5909 39.8495 40.0178 40.1504 40.2431 40.4257 40.5393 40.7051 40.7867 40.8751 41.0469 41.2900 41.3535 41.5769 41.7476 41.9359 42.1332 42.1448 42.4412 42.5044 42.6059 42.7336 42.8794 42.9510 43.0637 43.1282 43.2907 43.3964 43.4999 43.7407 43.8433 43.9378 44.2212 44.2960 44.4207 44.5598 44.6443 44.7520 44.9407 45.0716 45.3305 45.3894 45.4428 45.7169 45.9259 46.0190 46.1672 46.2807 46.4293 46.5195 46.7262 46.8702 46.9051 47.1294 47.2438 47.4717 47.7360 47.8130 47.9246 48.1284 48.2189 48.5245 48.8061 48.8957 49.1896 49.4064 49.4789 49.5518 49.9771 50.0647 50.2381 50.2711 50.4002 50.6878 50.7663 50.9532 51.1810 51.3565 51.3831 51.5449 51.7223 51.8250 52.0149 52.2699 52.3913 52.4275 52.7168 52.9250 52.9764 53.3458 53.5112 53.7370 54.0426 54.1388 54.2763 54.5704 54.7584 54.9233 55.1270 55.4030 55.5788 55.7859 55.9006 56.0796 56.3468 56.4808 56.5835 56.6372 56.7307 56.9595 57.1363 57.4368 57.5718 57.7050 57.9605 58.1446 58.2133 58.3416 58.5301 58.9466 58.9807 59.0802 59.1655 59.3827 59.6530 59.6987 59.9312 59.9750 60.1586 60.4906 60.5488 60.9048 61.1237 61.2971 61.6981 62.0120 62.1013 62.4610 62.6244 62.8803 62.9517 63.0419 63.4703 63.5629 63.7115 63.8274 63.9373 64.1626 64.3364 64.4998 64.9913 65.2930 65.4610 65.5148 65.7103 65.9256 66.1046 66.1645 66.3333 66.4274 66.7740 66.9345 67.0012 67.1461 67.3597 67.7014 67.8162 67.9607 68.0289 68.1761 68.3383 68.7366 68.9613 68.9837 69.1254 69.3497 69.5397 69.7695 70.4723 70.6319 70.9660 71.0506 71.2779 71.6639 71.8695 72.0944 72.2029 72.6123 72.8482 73.2015 73.3998 73.6016 73.8507 73.9543 74.1017 74.3237 74.5889 74.6538 75.0992 75.2612 75.3210 75.5884 75.8378 76.1891 76.2749 76.3545 76.5877 76.6842 76.9774 77.0421 77.2319 77.2794 77.3437 77.4468 77.6028 77.7708 77.8907 78.2594 78.3909 78.4980 78.7479 78.8396 78.8579 79.0055 79.0534 79.2277 79.5534 79.6868 79.7531 79.8110 79.9364 80.1996 80.4986 80.5495 80.9594 81.1017 81.2369 81.3619 81.5236 81.5799 81.7499 81.8606 81.9322 82.1080 82.2826 82.3093 82.4711 82.7044 82.7797 82.9971 83.0041 83.1961 83.2777 83.5153 83.5492 83.6352 83.9449 84.1144 84.3580 84.5096 84.5209 84.7365 84.9086 85.0694 85.1666 85.2460 85.3416 85.4469 85.4941 85.5942 85.7092 85.7541 85.8312 85.9777 86.0755 86.1787 86.2914 86.5038 86.6583 86.7637 86.9187 87.0307 87.0919 87.2530 87.4685 87.5494 87.6400 87.7254 87.9225 88.1236 88.2272 88.4932 88.5690 88.6343 88.7390 88.9005 88.9750 89.0548 89.2530 89.3570 89.4347 89.5179 89.7032 89.8130 89.9624 90.0677 90.1347 90.2878 90.5712 90.7601 90.9801 91.0309 91.1036 91.2495 91.3759 91.5332 91.6974 91.8657 92.2110 92.3119 92.4549 92.5456 92.6859 92.7392 92.8636 92.9400 93.0404 93.2076 93.2855 93.2940 93.4324 93.5381 93.5981 93.7582 93.8251 94.0130 94.2267 94.3430 94.4158 94.5321 94.6869 94.7599 95.0396 95.2365 95.2576 95.4026 95.4671 95.6339 95.7747 95.9277 95.9779 96.1291 96.4399 96.5521 96.7313 96.8894 97.0111 97.0856 97.2804 97.3398 97.4669 97.4863 97.6642 97.7768 98.0726 98.0937 98.2428 98.4515 98.4910 98.5270 98.6805 98.9042 99.0732 99.1245 99.3486 99.4192 99.6965 99.9140 100.1366 100.2586 100.4976 100.6380 100.7256 100.9159 101.2040 101.3296 101.7288 101.8221 101.9641 102.2439 102.2797 102.5616 102.7647 102.9189 103.0924 103.6133 103.7422 103.9102 104.3315 104.4458 104.5787 104.8181 104.9103 105.0898 105.3044 105.3423 105.4056 105.4833 105.5866 105.7325 105.9229 105.9417 106.1184 106.2297 106.2909 106.3893 106.5335 106.7718 106.9885 107.1833 107.4738 107.5365 107.6601 107.8778 108.1041 108.2252 108.2643 108.6149 108.9833 109.0607 109.2172 109.3689 109.4220 109.5220 109.8246 109.9271 110.0268 110.3503 110.6135 110.6344 110.7628 110.8478 110.9806 111.0755 111.2847 111.4696 111.5288 111.7191 111.9179 112.0915 112.3479 112.6597 112.7975 112.8887 113.0573 113.1477 113.3141 113.5571 113.6682 114.1258 114.3327 114.4559 114.6600 114.8487 115.0307 115.1194 115.3413 115.3921 115.7274 115.9653 115.9963 116.1087 116.1551 116.3968 116.5291 116.5973 116.6281 116.8638 116.9324 117.1990 117.3992 117.5698 117.7323 117.8570 117.9320 118.0745 118.2228 118.2899 118.3983 118.5700 118.7871 118.9503 118.9954 119.1229 119.2345 119.3019 119.4295 119.6447 120.0656 120.1693 120.2709 120.3157 120.4072 120.6381 120.7843 121.0456 121.1752 121.1983 121.4592 121.6309 122.0896 122.1786 122.6478 122.9114 123.0799 123.2612 123.5382 123.6329 124.2967 124.4374 124.9309 124.9943 125.3425 125.6207 125.7177 125.9791 126.4976 126.6577 126.8885 127.0942 127.5228 127.5857 127.9623 128.1685 128.4534 128.5108 128.7396 129.0334 129.0777 129.3546 129.5278 129.6317 129.7987 129.9342 130.3330 130.4570 130.8400 130.9782 131.0178 131.1989 131.5102 131.7798 132.0228 132.0401 132.4424 132.7270 132.8292 132.9323 133.0479 133.4192 133.5955 133.9326 134.1772 134.4077 134.8088 135.0149 135.1299 135.3907 135.8306 136.0134 136.5996 136.8522 137.0729 137.4778 137.7091 137.8906 138.1176 138.2854 138.5365 138.8944 139.2151 139.3413 139.6856 139.8893 140.6488 141.0064 141.0870 141.4031 141.6109 141.8946 142.3425 142.4295 143.1975 143.6559 144.0813 144.1194 144.2541 144.3741 144.4136 144.5977 144.6775 144.8495 145.0994 145.2620 145.5069 145.8126 146.0600 146.5437 146.7628 147.0737 147.5361 147.5852 147.8305 148.0901 148.2751 148.5152 148.6634 148.9102 149.1434 149.5756 149.8235 150.1934 150.3171 150.4787 150.6000 150.9428 151.8299 151.9640 152.0780 152.4484 152.6123 152.9676 153.5645 153.6820 154.4414 154.5472 155.3308 155.6855 155.8068 156.2758 156.5020 157.1437 157.1928 157.3989 157.4562 157.8286 158.2607 158.9124 159.0171 159.4573 159.9672 159.9737 160.3880 160.7051 160.8966 161.8903 162.4890 162.8127 163.2154 164.6026 165.7997 167.3985 168.2112 168.4988 170.0817 172.2729 172.6559 172.8810 173.0329 174.6449 175.8724 177.3388 178.1156 178.9555 181.4818 182.0646 185.5585 186.9277 187.2751 187.4856 188.9815 189.7837 192.0800 193.0735 193.7266 195.4919 196.7461 198.9466 202.0790 205.7562 206.7861 207.1001 221.2089 222.1399 222.7995 223.0721 223.5586 224.2022 225.8839 226.4641 228.1987 229.5749 294.5126 295.9685 297.5229 299.8946 309.1687 314.1275 608.0843 618.5817 621.1100 624.7069 630.4745 630.8162 631.7639 632.5933 634.2618 634.4095 634.7206 635.3957 636.8023 636.9297 637.5069 640.3466 642.3920 642.9747 647.1312 650.4079 657.2702 658.2900 705.4096 713.4895 877.5567 1199.6562 1212.4265 1215.3064 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 -0.039342 -0.039305 -0.266005 -0.354320 -0.292741 -0.001068 0.119908 -0.027208 -0.098308 -0.243848 -0.278446 -0.247641 0.337881 0.102017 0.298790 0.020560 -0.269955 -0.162429 -0.202749 0.262781 -0.078479 -0.223532 0.249203 -0.200036 -0.147503 -0.098660 -0.104943 -0.135930 0.109018 0.097393 0.085530 0.097993 0.094318 0.097020 0.097996 0.084111 0.121181 0.123973 0.133541 0.114971 0.127439 0.127087 0.125101 0.110031 0.125769 0.123521 0.125310 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 17.0393 17.0393 8.2660 8.3543 8.2927 7.0011 5.8801 6.0272 6.0983 6.2438 6.2784 6.2476 5.6621 5.8980 5.7012 5.9794 6.2700 6.1624 6.2027 5.7372 6.0785 6.2235 5.7508 6.2000 6.1475 6.0987 6.1049 6.1359 0.8910 0.9026 0.9145 0.9020 0.9057 0.9030 0.9020 0.9159 0.8788 0.8760 0.8665 0.8850 0.8726 0.8729 0.8749 0.8900 0.8742 0.8765 0.8747 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 -0.0393 -0.0393 -0.2660 -0.3543 -0.2927 -0.0011 0.1199 -0.0272 -0.0983 -0.2438 -0.2784 -0.2476 0.3379 0.1020 0.2988 0.0206 -0.2700 -0.1624 -0.2027 0.2628 -0.0785 -0.2235 0.2492 -0.2000 -0.1475 -0.0987 -0.1049 -0.1359 0.1090 0.0974 0.0855 0.0980 0.0943 0.0970 0.0980 0.0841 0.1212 0.1240 0.1335 0.1150 0.1274 0.1271 0.1251 0.1100 0.1258 0.1235 0.1253 1.3174 1.2685 2.0951 2.1399 2.1241 3.1121 3.7394 3.8389 3.8346 3.9007 3.9194 3.8935 4.2140 4.1961 3.8625 3.6273 4.0139 3.9109 4.0168 3.8308 3.9347 4.0100 3.7716 4.0425 3.9599 3.9320 3.9658 3.9521 1.0226 1.0229 1.0032 1.0134 1.0021 0.9997 1.0060 1.0016 1.0156 1.0183 1.0193 1.0188 0.9998 1.0144 1.0131 1.0186 0.9992 1.0011 1.0003 1.3174 1.2685 2.0951 2.1399 2.1241 3.1121 3.7394 3.8389 3.8346 3.9007 3.9194 3.8935 4.2140 4.1961 3.8625 3.6273 4.0139 3.9109 4.0168 3.8308 3.9347 4.0100 3.7716 4.0425 3.9599 3.9320 3.9658 3.9521 1.0226 1.0229 1.0032 1.0134 1.0021 0.9997 1.0060 1.0016 1.0156 1.0183 1.0193 1.0188 0.9998 1.0144 1.0131 1.0186 0.9992 1.0011 1.0003 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.2026 1.1504 1.1230 0.8951 1.9591 1.0296 0.9187 3.0545 0.9488 0.8774 0.9528 0.9275 0.8886 0.9715 1.0034 1.0214 1.0127 0.9901 0.9826 0.9949 0.9975 0.9887 0.9932 1.8640 0.9743 0.9142 0.9164 1.0027 1.3452 1.3845 1.3733 0.9522 1.4432 0.9759 1.3923 1.4409 0.9834 0.9811 1.4256 1.3632 1.4350 0.9721 1.4445 0.9764 1.4274 0.9738 1.4279 0.9734 0.9771 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 -0.028539824 -2050.684794171296 5.64508 -6.86513 -1.22004 11.25788 -10.73519 0.52269 17.10250 -16.98857 0.11393 1.33218 3.38612