Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 F 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 1 1 2 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-2.7074,3.8043,-2.4831;-5.2812,4.5973,-1.4459;4.3538,-1.2845,2.8815;.1064,.7486,-1.1676;.853,2.7341,-.4539;2.2953,-2.7455,2.1118;1.2029,-1.473,-3.3694;-1.6253,2.3512,1.4739;-1.8762,3.4207,.4626;-1.4025,2.0705,-.0057;-2.8051,1.6411,2.0927;-.4516,2.4927,2.4117;-3.2479,3.8695,.1371;-.0375,1.9348,-.5479;-3.6871,4.0626,-1.0994;1.4276,.4103,-1.5721;2.2499,-.0599,-.3986;1.281,-.6426,-2.5799;1.8716,-1.2177,.2768;3.3328,.6819,.0368;2.5871,-1.6462,1.3818;4.0509,.2644,1.1494;3.6755,-.8832,1.8085;1.4543,-3.6956,1.589;1.8027,-4.4085,.4499;.2686,-3.9546,2.2554;.9417,-5.3846,-.0259;-.5793,-4.9426,1.7755;-.2497,-5.6549,.6328;-1.1193,4.2001,.4145;-2.1374,1.419,-.4643;-3.638,1.5262,1.3986;-2.516,.6446,2.429;-3.1701,2.1895,2.9633;-.0641,1.5136,2.6983;.3688,3.0648,1.9856;-.7702,3.0007,3.3233;-3.9327,4.0783,.9506;1.9174,1.2643,-2.0506;1.0189,-1.7911,-.0663;3.6139,1.5925,-.4736;4.8997,.8293,1.51;2.7349,-4.2031,-.0608;.0202,-3.392,3.1455;1.2073,-5.9384,-.9162;-1.5045,-5.1501,2.2964;-.916,-6.4195,.2572; 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 1623 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 224 Dim 1173 ENuc 2959.5350723374 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 1 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 8.015e-06 Time for diagonalization 0.597 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.627 sec Total time needed 1.237 sec 17 17 9 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 1 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-2.7074,3.8043,-2.4831;-5.2812,4.5973,-1.4459;4.3538,-1.2845,2.8815;.1064,.7486,-1.1676;.853,2.7341,-.4539;2.2953,-2.7455,2.1118;1.2029,-1.473,-3.3694;-1.6253,2.3512,1.4739;-1.8762,3.4207,.4626;-1.4025,2.0705,-.0057;-2.8051,1.6411,2.0927;-.4516,2.4927,2.4117;-3.2479,3.8695,.1371;-.0375,1.9348,-.5479;-3.6871,4.0626,-1.0994;1.4276,.4103,-1.5721;2.2499,-.0599,-.3986;1.281,-.6426,-2.5799;1.8716,-1.2177,.2768;3.3328,.6819,.0368;2.5871,-1.6462,1.3818;4.0509,.2644,1.1494;3.6755,-.8832,1.8085;1.4543,-3.6956,1.589;1.8027,-4.4085,.4499;.2686,-3.9546,2.2554;.9417,-5.3846,-.0259;-.5793,-4.9426,1.7755;-.2497,-5.6549,.6328;-1.1193,4.2001,.4145;-2.1374,1.419,-.4643;-3.638,1.5262,1.3986;-2.516,.6446,2.429;-3.1701,2.1895,2.9633;-.0641,1.5136,2.6983;.3688,3.0648,1.9856;-.7702,3.0007,3.3233;-3.9327,4.0783,.9506;1.9174,1.2643,-2.0506;1.0189,-1.7911,-.0663;3.6139,1.5925,-.4736;4.8997,.8293,1.51;2.7349,-4.2031,-.0608;.0202,-3.392,3.1455;1.2073,-5.9384,-.9162;-1.5045,-5.1501,2.2964;-.916,-6.4195,.2572; 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 4 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-2.7074,3.8043,-2.4831;-5.2812,4.5973,-1.4459;4.3538,-1.2845,2.8815;.1064,.7486,-1.1676;.853,2.7341,-.4539;2.2953,-2.7455,2.1118;1.2029,-1.473,-3.3694;-1.6253,2.3512,1.4739;-1.8762,3.4207,.4626;-1.4025,2.0705,-.0057;-2.8051,1.6411,2.0927;-.4516,2.4927,2.4117;-3.2479,3.8695,.1371;-.0375,1.9348,-.5479;-3.6871,4.0626,-1.0994;1.4276,.4103,-1.5721;2.2499,-.0599,-.3986;1.281,-.6426,-2.5799;1.8716,-1.2177,.2768;3.3328,.6819,.0368;2.5871,-1.6462,1.3818;4.0509,.2644,1.1494;3.6755,-.8832,1.8085;1.4543,-3.6956,1.589;1.8027,-4.4085,.4499;.2686,-3.9546,2.2554;.9417,-5.3846,-.0259;-.5793,-4.9426,1.7755;-.2497,-5.6549,.6328;-1.1193,4.2001,.4145;-2.1374,1.419,-.4643;-3.638,1.5262,1.3986;-2.516,.6446,2.429;-3.1701,2.1895,2.9633;-.0641,1.5136,2.6983;.3688,3.0648,1.9856;-.7702,3.0007,3.3233;-3.9327,4.0783,.9506;1.9174,1.2643,-2.0506;1.0189,-1.7911,-.0663;3.6139,1.5925,-.4736;4.8997,.8293,1.51;2.7349,-4.2031,-.0608;.0202,-3.392,3.1455;1.2073,-5.9384,-.9162;-1.5045,-5.1501,2.2964;-.916,-6.4195,.2572; -2149.91225299 2959.53507234 -5109.44732533 -8832.46135133 3723.01402600 -4293.44746130 2143.53520830 2.00297501 112.000078987672 112.000078987672 224.000157975343 -159.168139952483 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 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.7897 -2765.7582 -675.0659 -525.3117 -524.9409 -523.4364 -392.7866 -283.7390 -283.0857 -283.0442 -282.4433 -282.1278 -281.7470 -281.0019 -280.9271 -280.7254 -280.6285 -280.5911 -280.5775 -280.4058 -280.3610 -280.3411 -280.1352 -280.1195 -280.0846 -280.0694 -279.9797 -279.8833 -279.6761 -261.0583 -261.0265 -199.9009 -199.8714 -199.6567 -199.6430 -199.6198 -199.6139 -37.0263 -34.2425 -33.3593 -31.6495 -28.6826 -28.2919 -27.9296 -27.5405 -26.9718 -26.1680 -25.6089 -24.5750 -24.3485 -23.9996 -23.9470 -23.5400 -23.2051 -22.4227 -21.4813 -21.1904 -20.3910 -20.0539 -19.5444 -19.4872 -18.8031 -18.4856 -18.1017 -18.0294 -17.8634 -17.3961 -17.1133 -16.8443 -16.4710 -16.3999 -16.3505 -16.1333 -15.9737 -15.8836 -15.4700 -15.2749 -15.2488 -15.0500 -14.9372 -14.6847 -14.6025 -14.2791 -14.2086 -14.0388 -13.9814 -13.9000 -13.7299 -13.5302 -13.4097 -13.1785 -13.0845 -12.9716 -12.8931 -12.7800 -12.5160 -12.4906 -12.2880 -12.2503 -12.1539 -12.0190 -11.8515 -11.5456 -11.3806 -11.0700 -10.8509 -10.5871 -9.8971 -9.6560 -9.5155 -9.4305 -8.8268 0.8173 1.2020 1.2563 1.4603 1.6639 1.8734 2.4061 2.5652 2.6482 2.9746 3.1536 3.4202 3.4808 3.6008 3.8042 3.8524 4.0024 4.1435 4.2239 4.2750 4.6037 4.6492 4.7398 4.8528 5.0257 5.1453 5.2533 5.4334 5.5448 5.6349 5.6768 5.9376 5.9739 6.1492 6.2033 6.2982 6.4410 6.5310 6.8093 6.8460 7.0297 7.1068 7.2853 7.3228 7.4150 7.5513 7.6122 7.6760 7.7133 7.9384 7.9926 8.1683 8.2263 8.3029 8.3414 8.4729 8.5520 8.6100 8.7328 8.8281 8.9553 9.1218 9.1893 9.2638 9.3470 9.4400 9.6338 9.7043 9.8322 9.9001 9.9592 10.0641 10.1173 10.1797 10.2821 10.4574 10.5849 10.6532 10.7541 10.8465 10.9618 11.0498 11.1606 11.2299 11.3281 11.4497 11.5455 11.6219 11.6723 11.7791 11.8970 11.9474 12.0365 12.0639 12.1223 12.2751 12.3591 12.4233 12.4507 12.5387 12.7300 12.7427 12.7892 12.8528 13.0376 13.0919 13.2568 13.3434 13.4760 13.5466 13.6831 13.7353 13.7636 13.9018 13.9653 13.9839 14.1669 14.2486 14.2815 14.3310 14.3399 14.5505 14.5830 14.8008 14.8230 14.9071 15.0363 15.1218 15.1452 15.2500 15.2976 15.3664 15.4542 15.6261 15.6473 15.7451 15.9224 15.9559 16.0893 16.1165 16.2001 16.2951 16.3355 16.4679 16.5363 16.7292 16.8694 17.0228 17.1553 17.2921 17.3909 17.5038 17.7052 17.8203 17.9195 18.0746 18.3108 18.3645 18.5051 18.7043 18.8570 18.9523 19.4042 19.4486 19.6188 19.7078 19.8501 19.9906 20.0582 20.0992 20.1606 20.2157 20.3478 20.5274 20.5890 20.7107 20.9604 21.0392 21.1540 21.2860 21.2964 21.3966 21.6755 21.6922 21.8585 22.0039 22.0810 22.2707 22.5077 22.5901 22.7194 22.7480 22.9782 23.1069 23.1560 23.2089 23.2997 23.3993 23.5426 23.8053 23.8972 24.1385 24.1853 24.3737 24.5213 24.8084 24.9041 25.0448 25.1191 25.2638 25.4514 25.6073 25.8522 25.9665 26.2101 26.3695 26.5534 26.8666 26.9262 27.0279 27.0318 27.2417 27.3172 27.4254 27.5516 27.7266 27.8364 28.1707 28.2280 28.3455 28.4057 28.5283 28.8257 28.8903 28.9479 29.0128 29.1458 29.1718 29.2353 29.3575 29.4194 29.5076 29.6936 29.8682 29.9760 30.1891 30.3755 30.6095 30.6498 30.7773 30.9662 31.0381 31.2594 31.2704 31.5501 31.7858 31.8181 31.9392 31.9962 32.1522 32.2785 32.5459 32.6270 32.6719 32.8030 33.0146 33.0927 33.2444 33.2900 33.4976 33.5170 33.7723 33.8645 33.9828 34.0827 34.2072 34.3952 34.7251 34.8109 34.9978 35.1339 35.3672 35.3906 35.6050 35.7490 35.7716 36.0112 36.1088 36.2733 36.3337 36.4685 36.7418 36.8631 36.9633 37.1192 37.2880 37.3244 37.4740 37.5784 37.6910 37.8037 37.9362 38.1223 38.2560 38.2833 38.4246 38.5312 38.6176 38.6529 38.9235 38.9796 39.1129 39.2479 39.2900 39.4182 39.5605 39.8125 39.9055 40.0532 40.2535 40.4609 40.6166 40.9169 41.0845 41.1908 41.2474 41.4817 41.6041 41.7135 41.9575 42.1417 42.1821 42.2388 42.3458 42.5530 42.6134 42.8118 42.9311 43.0427 43.0923 43.3115 43.5510 43.6319 43.7275 43.8413 43.9329 44.1168 44.2357 44.4450 44.5375 44.6982 44.8591 44.9629 45.0993 45.2193 45.3769 45.4492 45.5865 45.6927 45.8538 45.9944 46.1515 46.2352 46.4584 46.8143 47.0245 47.1214 47.3222 47.3840 47.4296 47.5414 47.6590 47.9507 48.0318 48.2916 48.4959 48.7515 48.8693 49.1297 49.3964 49.5481 49.7582 49.8751 50.1269 50.2391 50.4831 50.6475 50.7836 50.8919 51.0811 51.2522 51.3299 51.4966 51.7881 51.8521 51.9260 51.9818 52.1061 52.1922 52.3777 52.5709 52.6327 52.7116 52.9934 53.3783 53.4932 53.6638 53.8809 54.0475 54.5084 54.6299 54.7998 55.0345 55.1679 55.2952 55.6577 55.8237 55.9267 56.2192 56.4417 56.6216 56.7393 56.8812 56.9431 57.0890 57.1832 57.4285 57.6504 57.7285 57.9983 58.2036 58.4289 58.5202 58.9062 59.0710 59.1082 59.2885 59.3614 59.5897 59.7851 59.9475 60.2015 60.3486 60.4172 60.8419 61.0394 61.1992 61.3764 61.6020 61.7199 61.7903 62.0845 62.4220 62.6901 62.8980 62.9673 63.0206 63.4264 63.5147 63.6026 63.7226 63.8764 64.2072 64.4567 64.5704 64.7590 64.8727 65.0288 65.1105 65.1953 65.3517 65.4304 65.9596 66.2739 66.3581 66.5635 66.8586 67.0422 67.2435 67.3055 67.3636 67.3886 67.5140 67.8147 68.2372 68.3524 68.4310 68.6977 68.8679 69.0368 69.1614 69.5522 69.9210 70.2895 70.6871 70.9175 71.1468 71.3547 71.5450 71.7450 72.0245 72.3014 72.4884 72.6063 72.9798 73.0996 73.2593 73.5268 73.7717 74.0692 74.3051 74.4753 74.6602 74.8928 75.0337 75.2442 75.5544 75.7552 75.8174 76.2811 76.3264 76.5022 76.6941 76.8515 76.9575 77.0726 77.1432 77.3739 77.6115 77.7375 77.7823 78.0037 78.1875 78.3434 78.4985 78.7115 78.8165 78.8934 79.0195 79.0900 79.1802 79.2838 79.3752 79.4632 79.6154 79.7301 79.9167 80.2181 80.2859 80.4253 80.6900 80.7626 80.8919 81.1846 81.3186 81.4440 81.5127 81.5238 81.6558 81.7321 81.9675 82.0511 82.1022 82.4141 82.5416 82.6035 82.7766 82.8626 82.9555 83.1827 83.2475 83.6749 83.7187 83.8472 83.9548 84.1023 84.1598 84.4867 84.5560 84.6599 84.8314 84.9301 85.0370 85.1566 85.3114 85.4169 85.4430 85.5949 85.6714 85.7821 85.8380 85.9542 86.0836 86.2038 86.2803 86.5994 86.6278 86.9494 87.1368 87.2606 87.4737 87.5470 87.8637 88.0180 88.1277 88.1537 88.2113 88.3423 88.6174 88.6619 88.6644 88.8705 88.8859 89.0719 89.0789 89.1350 89.2803 89.3658 89.5444 89.6411 89.9097 90.0364 90.2064 90.3087 90.4339 90.5248 90.5881 90.8006 91.1242 91.1884 91.2467 91.5124 91.5691 91.6579 91.7979 91.8929 91.9751 92.2551 92.3757 92.5141 92.6907 92.7672 92.8983 93.0157 93.1059 93.1815 93.2396 93.3845 93.4584 93.5526 93.6435 93.9513 93.9767 94.2404 94.3010 94.3762 94.6626 94.7492 94.8935 94.9810 95.0712 95.2344 95.3605 95.4465 95.6117 95.8848 95.9337 95.9656 96.2340 96.3095 96.4097 96.7076 96.8003 96.9070 97.0403 97.1453 97.2758 97.4837 97.6091 97.7257 97.8373 98.0190 98.1998 98.2212 98.2808 98.5995 98.7094 98.9450 99.1145 99.2008 99.3590 99.4630 99.6884 99.8061 100.0604 100.2612 100.4055 100.5202 100.8005 100.8481 101.0368 101.0762 101.4721 101.6257 101.6928 101.9596 102.2090 102.2275 102.5402 102.9094 103.3106 103.4358 103.6094 103.7890 104.0954 104.1332 104.2907 104.6090 104.6592 104.7653 104.9733 105.1219 105.2278 105.2653 105.4098 105.4443 105.7374 105.7897 106.0446 106.0601 106.1572 106.3509 106.5612 106.8026 106.8537 106.9797 107.2282 107.3300 107.7505 107.9941 108.0139 108.1622 108.2337 108.4855 108.5842 108.7131 108.9827 109.0960 109.5062 109.7558 109.9591 110.0788 110.3412 110.5163 110.5521 110.6480 110.7418 110.8417 111.0502 111.3112 111.4086 111.5256 111.9376 112.0731 112.2248 112.2551 112.3678 112.5763 112.7243 112.8191 113.0649 113.1638 113.4007 113.7039 113.7823 114.1041 114.2480 114.3150 114.3698 114.6480 114.7796 114.9752 115.0836 115.1465 115.5146 115.5915 115.6451 115.7403 116.0552 116.2011 116.3403 116.4795 116.5541 116.7942 117.0246 117.0803 117.1631 117.1896 117.3545 117.4925 117.7852 117.9595 118.0365 118.0724 118.3171 118.4445 118.5554 118.7282 118.9249 119.1461 119.2369 119.3756 119.7123 119.8779 119.9848 120.0685 120.2860 120.4603 120.6185 120.8146 121.1151 121.2202 121.3909 121.6995 121.7519 121.9459 122.5181 122.8095 122.9311 123.2277 123.5595 123.7305 123.8021 123.9284 124.7725 124.8928 125.1343 125.2523 125.6910 125.8903 125.9749 126.3124 126.7374 126.7753 127.0527 127.4010 127.6357 127.8354 127.9980 128.2349 128.3098 128.4926 128.6754 128.8829 129.0326 129.3176 129.5727 129.8238 130.0244 130.2106 130.4859 130.5969 130.9797 131.0621 131.2297 131.3647 131.5607 131.7268 132.0780 132.1823 132.3945 132.5549 132.7953 133.0644 133.5798 133.7888 133.8138 134.0347 134.1814 134.9411 134.9995 135.1922 135.4777 135.6193 135.9410 136.2708 137.1805 137.5326 137.6653 137.9193 137.9604 138.1957 138.3281 138.6558 138.8827 139.4777 139.9277 140.1583 140.3389 140.9050 141.2018 141.6463 141.8286 142.3335 142.4214 142.7166 143.1024 143.3607 143.6509 143.8785 143.9794 144.1185 144.3267 144.4517 144.8072 145.3976 145.4779 145.7201 145.8602 146.1801 146.4082 146.7959 147.1318 147.3320 147.6313 147.6393 148.0346 148.3460 148.4563 148.4933 149.0983 149.3393 149.5864 149.6005 149.9771 150.1488 150.3075 150.5874 150.9517 151.6118 151.6353 151.9044 152.2138 152.3466 152.9977 153.4568 153.7822 153.9449 154.6558 154.8139 154.9333 155.5181 155.6347 156.5682 156.8112 157.1931 157.3256 157.7848 158.4086 158.5603 159.0310 159.1736 159.3073 159.5520 159.9784 160.5948 160.9668 161.4171 161.7918 161.9718 162.5475 163.4032 165.2058 165.5592 166.4466 167.9802 169.5180 171.4595 172.3866 172.8811 173.2931 174.0892 175.4668 175.7200 178.6018 178.8607 180.9693 182.2971 183.0955 185.1326 186.3360 186.6879 189.1293 189.3368 189.4524 189.9824 190.4613 192.1796 192.8131 193.4298 195.7301 196.1914 196.5171 198.9453 200.2659 201.1025 204.9451 205.4279 206.4957 206.9139 213.2123 221.2824 222.0808 222.3221 222.9069 223.2180 223.7146 225.7381 226.0723 228.0616 229.4353 229.7980 236.0282 241.1735 247.8901 249.0792 294.5454 294.8707 295.8207 298.1649 308.6825 313.2875 607.3760 618.2680 619.2519 625.3917 629.1623 630.1054 631.0480 632.1318 633.5311 633.9535 634.0242 635.1307 635.7072 636.4596 636.8209 639.6324 642.1789 643.4928 647.4921 650.3131 655.5055 657.9736 704.1185 709.3501 876.8991 1200.5629 1213.0175 1215.1299 1563.2406 -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 F 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 -0.030061 -0.039145 -0.184293 -0.257882 -0.371690 -0.284519 -0.002240 0.112276 -0.007770 -0.156580 -0.270559 -0.247872 -0.249966 0.359656 0.090972 0.337722 -0.022273 -0.267904 -0.181582 -0.118100 0.173756 -0.139191 0.183176 0.221447 -0.160436 -0.180431 -0.107788 -0.108146 -0.126806 0.109532 0.107327 0.089010 0.095436 0.094510 0.090091 0.100191 0.088635 0.119301 0.118663 0.132458 0.115481 0.126720 0.135603 0.125549 0.131568 0.127249 0.128902 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 F 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 17.0301 17.0391 9.1843 8.2579 8.3717 8.2845 7.0022 5.8877 6.0078 6.1566 6.2706 6.2479 6.2500 5.6403 5.9090 5.6623 6.0223 6.2679 6.1816 6.1181 5.8262 6.1392 5.8168 5.7786 6.1604 6.1804 6.1078 6.1081 6.1268 0.8905 0.8927 0.9110 0.9046 0.9055 0.9099 0.8998 0.9114 0.8807 0.8813 0.8675 0.8845 0.8733 0.8644 0.8745 0.8684 0.8728 0.8711 17.0000 17.0000 9.0000 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 -0.0301 -0.0391 -0.1843 -0.2579 -0.3717 -0.2845 -0.0022 0.1123 -0.0078 -0.1566 -0.2706 -0.2479 -0.2500 0.3597 0.0910 0.3377 -0.0223 -0.2679 -0.1816 -0.1181 0.1738 -0.1392 0.1832 0.2214 -0.1604 -0.1804 -0.1078 -0.1081 -0.1268 0.1095 0.1073 0.0890 0.0954 0.0945 0.0901 0.1002 0.0886 0.1193 0.1187 0.1325 0.1155 0.1267 0.1356 0.1255 0.1316 0.1272 0.1289 1.3021 1.2671 1.1174 2.1318 2.1322 2.1197 3.1197 3.7432 3.8349 3.8696 3.9115 3.8999 3.9097 4.1988 4.2077 3.8328 3.7251 4.0293 3.9435 3.9392 3.7696 3.9210 4.0907 3.8159 3.9805 4.0321 3.9492 3.9392 3.9513 1.0256 1.0241 1.0007 1.0064 1.0012 1.0019 1.0193 1.0038 1.0165 1.0184 1.0207 1.0186 1.0069 1.0023 1.0115 0.9993 0.9993 0.9997 1.3021 1.2671 1.1174 2.1318 2.1322 2.1197 3.1197 3.7432 3.8349 3.8696 3.9115 3.8999 3.9097 4.1988 4.2077 3.8328 3.7251 4.0293 3.9435 3.9392 3.7696 3.9210 4.0907 3.8159 3.9805 4.0321 3.9492 3.9392 3.9513 1.0256 1.0241 1.0007 1.0064 1.0012 1.0019 1.0193 1.0038 1.0165 1.0184 1.0207 1.0186 1.0069 1.0023 1.0115 0.9993 0.9993 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 1.2092 1.1522 1.0982 1.1378 0.8803 1.9545 1.0631 0.9028 3.0600 0.9587 0.8406 0.9294 0.9596 0.9350 0.9714 0.9923 1.0072 1.0219 0.9888 0.9891 0.9964 0.9928 0.9828 0.9903 1.8716 0.9762 0.9056 0.9278 0.9994 1.3744 1.3999 1.3668 0.9348 1.3948 0.9606 1.3348 1.4804 0.9785 1.3819 1.4318 1.4380 0.9694 1.4263 0.9725 1.4262 0.9696 1.4329 0.9732 0.9746 0 14 1 14 2 22 3 13 3 15 4 13 5 20 5 23 6 17 7 8 7 9 7 10 7 11 8 9 8 12 8 29 9 13 9 30 10 31 10 32 10 33 11 34 11 35 11 36 12 14 12 37 15 16 15 17 15 38 16 18 16 19 18 20 18 39 19 21 19 40 20 22 21 22 21 41 23 24 23 25 24 26 24 42 25 27 25 43 26 28 26 44 27 28 27 45 28 46 -0.025307968 -2149.937560962448 3.85341 -4.40056 -0.54715 -16.20474 16.44040 0.23566 19.62712 -18.39956 1.22755 1.36447 3.46822