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:-2.0046,2.5319,-2.4839;-4.5114,3.7955,-1.8048;.9335,.6326,-.1907;1.7451,2.6875,-.5849;1.6234,-4.0303,1.9574;1.2621,-.9955,-3.084;-.4919,3.4902,1.4916;-.9072,3.8061,.0955;-.4097,2.4169,.4174;.7589,4.1289,2.0413;-1.5607,3.2654,2.5345;-2.3236,4.0129,-.2785;.8702,1.9791,-.1702;-2.8724,3.5129,-1.3778;2.0565,.0238,-.8089;2.6297,-1.0414,.0909;1.6044,-.5467,-2.0834;1.806,-2.0455,.5885;3.9778,-1.0104,.4078;2.3508,-3.0301,1.3998;4.5091,-1.9964,1.2282;3.7056,-3.0059,1.7206;.453,-4.4512,1.3862;-.6531,-4.5787,2.2122;.3806,-4.804,.0447;-1.841,-5.0696,1.6913;-.8165,-5.2809,-.4656;-1.9297,-5.4172,.352;-.1987,4.4047,-.4719;-1.1579,1.6364,.4915;1.2172,3.4932,2.8007;.5062,5.0783,2.5161;1.5036,4.3297,1.2754;-1.8731,4.2138,2.9759;-1.1811,2.6365,3.3407;-2.4477,2.7797,2.1268;-2.9459,4.632,.3572;2.8228,.7715,-1.032;.7515,-2.0569,.3417;4.6124,-.2238,.0203;5.5606,-1.9798,1.4807;4.1131,-3.7814,2.3555;-.5753,-4.3028,3.2556;1.2478,-4.7101,-.5969;-2.7024,-5.1737,2.3379;-.8745,-5.552,-1.5112;-2.8588,-5.7946,-.0529; 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 2749.5908840979 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.274e-06 Time for diagonalization 0.543 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.494 sec Total time needed 1.049 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:-2.0046,2.5319,-2.4839;-4.5114,3.7955,-1.8048;.9335,.6326,-.1907;1.7451,2.6875,-.5849;1.6234,-4.0303,1.9574;1.2621,-.9955,-3.084;-.4919,3.4902,1.4916;-.9072,3.8061,.0955;-.4097,2.4169,.4174;.7589,4.1289,2.0413;-1.5607,3.2654,2.5345;-2.3236,4.0129,-.2785;.8702,1.9791,-.1702;-2.8724,3.5129,-1.3778;2.0565,.0238,-.8089;2.6297,-1.0414,.0909;1.6044,-.5467,-2.0834;1.806,-2.0455,.5885;3.9778,-1.0104,.4078;2.3508,-3.0301,1.3998;4.5091,-1.9964,1.2282;3.7056,-3.0059,1.7206;.453,-4.4512,1.3862;-.6531,-4.5787,2.2122;.3806,-4.804,.0447;-1.841,-5.0696,1.6913;-.8165,-5.2809,-.4656;-1.9297,-5.4172,.352;-.1987,4.4047,-.4719;-1.1579,1.6364,.4915;1.2172,3.4932,2.8007;.5062,5.0783,2.5161;1.5036,4.3297,1.2754;-1.8731,4.2138,2.9759;-1.1811,2.6365,3.3407;-2.4477,2.7797,2.1268;-2.9459,4.632,.3572;2.8228,.7715,-1.032;.7515,-2.0569,.3417;4.6124,-.2238,.0203;5.5606,-1.9798,1.4807;4.1131,-3.7814,2.3555;-.5753,-4.3028,3.2556;1.2478,-4.7101,-.5969;-2.7024,-5.1737,2.3379;-.8745,-5.552,-1.5112;-2.8588,-5.7946,-.0529; 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:-2.0046,2.5319,-2.4839;-4.5114,3.7955,-1.8048;.9335,.6326,-.1907;1.7451,2.6875,-.5849;1.6234,-4.0303,1.9574;1.2621,-.9955,-3.084;-.4919,3.4902,1.4916;-.9072,3.8061,.0955;-.4097,2.4169,.4174;.7589,4.1289,2.0413;-1.5607,3.2654,2.5345;-2.3236,4.0129,-.2785;.8702,1.9791,-.1702;-2.8724,3.5129,-1.3778;2.0565,.0238,-.8089;2.6297,-1.0414,.0909;1.6044,-.5467,-2.0834;1.806,-2.0455,.5885;3.9778,-1.0104,.4078;2.3508,-3.0301,1.3998;4.5091,-1.9964,1.2282;3.7056,-3.0059,1.7206;.453,-4.4512,1.3862;-.6531,-4.5787,2.2122;.3806,-4.804,.0447;-1.841,-5.0696,1.6913;-.8165,-5.2809,-.4656;-1.9297,-5.4172,.352;-.1987,4.4047,-.4719;-1.1579,1.6364,.4915;1.2172,3.4932,2.8007;.5062,5.0783,2.5161;1.5036,4.3297,1.2754;-1.8731,4.2138,2.9759;-1.1811,2.6365,3.3407;-2.4477,2.7797,2.1268;-2.9459,4.632,.3572;2.8228,.7715,-1.032;.7515,-2.0569,.3417;4.6124,-.2238,.0203;5.5606,-1.9798,1.4807;4.1131,-3.7814,2.3555;-.5753,-4.3028,3.2556;1.2478,-4.7101,-.5969;-2.7024,-5.1737,2.3379;-.8745,-5.552,-1.5112;-2.8588,-5.7946,-.0529; -2050.65968802 2749.59088410 -4800.25057212 -8274.78957062 3474.53899849 -4095.19498259 2044.53529456 2.00299549 108.000171892707 108.000171892707 216.000343785414 -151.870470579340 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 -2765.6977 -2765.6877 -525.2409 -524.7671 -523.3725 -392.6605 -283.7147 -283.0125 -282.8933 -281.9403 -281.6544 -280.8759 -280.8675 -280.7261 -280.5926 -280.5315 -280.5194 -280.2597 -280.1922 -280.1567 -280.1074 -280.0224 -280.0116 -279.9600 -279.9316 -279.8510 -279.8444 -279.6300 -260.9645 -260.9562 -199.8074 -199.8008 -199.5626 -199.5496 -199.5490 -199.5436 -34.1439 -33.1822 -31.6141 -28.6054 -28.1590 -27.8729 -27.3767 -26.8386 -26.0873 -25.5284 -24.3620 -24.2845 -23.8940 -23.8201 -23.4343 -23.0703 -22.3844 -21.4334 -20.8541 -20.1745 -19.8385 -19.6295 -19.2618 -18.6473 -18.2400 -18.0505 -17.8657 -17.3644 -17.0696 -16.4661 -16.4463 -16.2873 -16.1436 -16.0212 -15.9691 -15.7266 -15.3333 -15.0651 -14.9949 -14.8856 -14.5181 -14.4823 -14.2271 -14.1504 -14.0724 -13.9742 -13.8324 -13.5107 -13.3211 -13.2237 -13.1528 -13.0673 -12.9815 -12.8809 -12.6658 -12.4630 -12.3539 -12.1181 -12.0765 -11.9684 -11.8475 -11.7657 -11.4983 -11.2942 -11.0207 -10.8074 -10.5724 -9.8497 -9.6211 -9.5276 -9.3582 -8.6648 0.8007 1.2256 1.2925 1.5535 1.8593 1.9702 2.4696 2.7233 2.8519 3.0367 3.3567 3.4972 3.6235 3.7084 3.8063 4.0663 4.1398 4.3025 4.3687 4.4552 4.4835 4.7254 4.8340 4.9239 5.0057 5.0752 5.3165 5.4060 5.5643 5.7116 5.8015 5.9011 6.0478 6.0618 6.1897 6.2789 6.3667 6.4956 6.6990 6.8562 7.0510 7.1276 7.4036 7.4292 7.5569 7.6017 7.6149 7.6724 7.7815 7.8500 7.8819 7.9713 8.0482 8.1902 8.3757 8.3954 8.4965 8.5299 8.7223 8.7668 9.0079 9.1218 9.1795 9.2330 9.3333 9.3548 9.4598 9.6068 9.7947 9.8075 9.8993 10.0286 10.1588 10.1945 10.3721 10.5011 10.5480 10.6546 10.7402 10.8476 10.8647 10.9735 11.1137 11.3274 11.3718 11.4198 11.4519 11.5865 11.7282 11.7812 11.8502 11.9618 12.0951 12.1332 12.2044 12.4088 12.4687 12.5665 12.6576 12.7155 12.7804 12.8241 12.8900 12.9778 12.9963 13.2177 13.2465 13.2927 13.4790 13.5258 13.6634 13.7205 13.8364 13.9015 13.9270 14.0539 14.1292 14.1893 14.2842 14.4222 14.5044 14.5424 14.6372 14.7269 14.8258 14.9792 15.0272 15.0584 15.1576 15.2130 15.3231 15.4036 15.5641 15.6421 15.7051 15.7538 15.7829 15.9317 16.0778 16.1545 16.2202 16.2915 16.3907 16.4891 16.7308 16.8097 16.9601 17.0895 17.2146 17.2657 17.3543 17.5511 17.6498 17.7285 17.7940 17.8882 18.0896 18.4709 18.5760 18.7937 18.8275 19.0593 19.2111 19.5356 19.5906 19.6293 19.8027 19.9703 20.0592 20.1256 20.2423 20.3840 20.4121 20.4800 20.6748 20.7776 20.9172 21.0450 21.2317 21.2590 21.3499 21.4530 21.4734 21.5870 21.6948 21.8978 21.9472 22.0705 22.2864 22.6268 22.7767 22.8731 23.0082 23.0971 23.2625 23.3606 23.4572 23.5891 23.7167 23.9279 23.9417 24.1135 24.2982 24.4218 24.6661 24.7923 24.8782 25.0423 25.3931 25.4864 25.5567 25.8353 25.9380 26.0164 26.2301 26.4206 26.4897 26.6500 26.7803 26.9654 27.1936 27.2321 27.4644 27.5502 27.6919 27.9076 28.0032 28.1234 28.2622 28.3937 28.5859 28.6792 28.7213 28.8405 28.9467 29.0638 29.2139 29.2681 29.3720 29.5102 29.6772 29.8590 29.8751 29.9551 30.0557 30.1860 30.4128 30.6925 30.7899 30.8944 31.0571 31.1680 31.2736 31.4202 31.6030 31.7839 31.9360 32.0830 32.3613 32.5077 32.5688 32.6157 32.8670 32.9784 33.1236 33.2569 33.2920 33.4356 33.5918 33.7296 33.8343 34.0568 34.0888 34.3254 34.5247 34.6770 34.7261 34.8826 34.9631 35.1397 35.3331 35.4143 35.5189 35.6937 35.8305 35.9591 36.0863 36.2471 36.5085 36.6780 36.7911 36.9034 36.9446 37.1558 37.2172 37.3908 37.4678 37.6688 37.8292 37.8713 37.9265 38.0519 38.1432 38.2848 38.3023 38.4355 38.4627 38.6871 38.8318 38.9362 39.1119 39.1186 39.4072 39.5449 39.6166 39.7967 39.9520 40.1072 40.2571 40.4585 40.5443 40.7362 40.8898 41.0835 41.2406 41.3669 41.4884 41.5870 41.8748 41.9092 42.1041 42.2524 42.4261 42.5073 42.5914 42.7708 42.8072 42.8801 43.0519 43.1666 43.2229 43.4492 43.5058 43.7038 43.9257 44.0470 44.1994 44.2459 44.3756 44.5629 44.6493 44.7914 44.8388 45.1015 45.3881 45.4715 45.5322 45.6670 45.8508 46.0748 46.1165 46.3320 46.4256 46.6574 46.7109 46.7388 47.0099 47.0929 47.4403 47.4944 47.7241 47.8734 48.2435 48.4304 48.5446 48.6011 48.7731 48.9132 49.2815 49.4093 49.6686 49.8600 50.0266 50.0639 50.2863 50.5257 50.7103 50.8403 50.9194 50.9840 51.0953 51.4544 51.5046 51.6156 51.7749 51.8998 52.0218 52.1638 52.5094 52.5760 52.6260 52.8220 52.9103 53.3098 53.4216 53.4709 53.8145 54.2295 54.4954 54.6319 54.7040 54.9308 55.0953 55.1620 55.6099 55.6709 55.8420 56.1043 56.2480 56.4672 56.7149 56.7752 56.9298 57.1017 57.1782 57.3338 57.4181 57.6303 57.8429 58.0297 58.2841 58.4416 58.9885 59.1390 59.2780 59.3233 59.4489 59.5901 59.7344 59.8492 59.9655 60.1730 60.3330 60.4174 60.9902 61.4728 61.6032 61.6441 61.7743 61.9828 62.1834 62.6895 62.7986 63.0779 63.1926 63.3029 63.5340 63.7061 63.7627 63.9050 64.1278 64.2075 64.3802 64.8908 64.9613 65.0802 65.3984 65.4126 65.6488 65.8837 65.9934 66.4004 66.6588 66.7199 66.9988 67.1713 67.1945 67.2341 67.4594 67.5338 67.7330 67.7997 68.2108 68.3780 68.5578 68.7804 68.9707 68.9893 69.2431 69.7497 69.8239 70.4799 70.6101 71.1693 71.2401 71.4378 71.8675 71.9746 72.3166 72.4313 72.7548 72.9244 73.0486 73.3525 73.5636 73.9563 74.0645 74.3058 74.4061 74.7597 74.8198 75.0366 75.2247 75.4727 75.8711 76.0280 76.1764 76.2494 76.4409 76.5516 76.6250 76.7064 77.0891 77.1898 77.3050 77.4889 77.7164 77.8889 78.0000 78.2919 78.3569 78.4927 78.6150 78.7271 78.8391 78.9736 79.0928 79.1056 79.2235 79.4486 79.5855 79.6417 79.8674 80.0248 80.1955 80.3995 80.5142 80.7124 80.8060 81.1329 81.4051 81.4844 81.5819 81.7167 81.8301 81.9711 81.9926 82.1707 82.3206 82.5058 82.5817 82.5984 82.8082 82.9121 83.0337 83.1380 83.3222 83.5254 83.6161 83.7643 83.9087 84.1080 84.1844 84.4959 84.6254 84.7127 84.8451 85.0119 85.0935 85.2478 85.3560 85.3919 85.5385 85.5879 85.6850 85.8421 85.9025 86.0867 86.1593 86.2519 86.3078 86.4802 86.6354 86.9958 87.0315 87.1443 87.2190 87.3851 87.6435 87.8518 88.0671 88.1132 88.2581 88.2818 88.5988 88.7009 88.7468 88.8536 88.9073 88.9716 89.0438 89.0949 89.1229 89.3533 89.4726 89.5721 89.6613 89.8177 89.9319 90.2317 90.3432 90.5794 90.7082 90.7142 90.9060 91.0954 91.2787 91.2845 91.4166 91.5442 91.8190 91.9022 92.0375 92.1363 92.3211 92.4618 92.5616 92.7237 92.9117 93.0211 93.0428 93.1369 93.2813 93.3849 93.4345 93.6603 93.7529 93.9684 94.0584 94.2080 94.3575 94.4207 94.4863 94.7258 94.8752 94.9334 95.1075 95.2043 95.2970 95.5951 95.6349 95.6988 95.9491 96.0644 96.1373 96.1816 96.3916 96.5226 96.6133 96.9584 97.0005 97.0132 97.1793 97.2447 97.3018 97.4273 97.8268 97.9919 98.0873 98.1953 98.2804 98.4813 98.6660 98.7435 98.8484 98.9552 99.0674 99.4348 99.6231 99.7047 99.9232 100.2134 100.3589 100.4893 100.5400 101.2069 101.3156 101.4274 101.5314 101.8250 101.9600 102.0654 102.3599 102.4604 102.8648 102.9884 103.3488 103.5692 103.6114 104.0284 104.1228 104.1590 104.3046 104.5034 104.6403 104.7715 104.8515 105.2314 105.2579 105.3597 105.4634 105.5510 105.6859 105.8611 106.0042 106.0717 106.1736 106.3672 106.5105 106.7635 106.8673 107.0051 107.2210 107.3685 107.3802 107.7710 107.9628 108.0512 108.1149 108.3998 108.5263 108.9046 109.0031 109.1838 109.4317 109.5400 109.6627 109.8909 110.1067 110.1995 110.3383 110.5069 110.7384 110.8551 110.8968 111.1664 111.2401 111.2617 111.4075 111.7155 111.9120 112.1789 112.2380 112.4755 112.5859 112.8762 113.0458 113.1000 113.2341 113.4789 113.7028 113.8533 114.0373 114.1789 114.3834 114.6225 114.6496 114.8367 114.9648 115.0044 115.3963 115.5047 115.5772 115.8526 115.9925 116.0703 116.1598 116.4715 116.5861 116.6138 116.8093 116.8606 117.0685 117.1543 117.2076 117.3236 117.6631 117.7494 117.9149 118.0588 118.1495 118.3356 118.3989 118.6630 118.6807 118.8734 119.0801 119.4774 119.5581 119.7021 119.9443 119.9634 120.1281 120.2445 120.3280 120.5802 120.7933 120.8987 121.0639 121.2730 121.2941 121.5585 121.7316 122.2268 122.3841 122.6322 122.8423 123.1202 123.1670 123.5995 123.8608 124.2686 124.4848 124.9435 125.3805 125.5539 125.7274 125.8523 126.3898 126.4229 126.7568 127.0287 127.3821 127.7519 127.8459 128.1614 128.4015 128.5143 128.6436 128.8164 128.9649 129.1428 129.2954 129.3653 129.7490 129.9379 130.0042 130.3911 130.5677 130.8235 130.9212 130.9831 131.2506 131.5439 131.7113 131.8898 132.3354 132.5826 132.6908 132.8111 133.1029 133.2345 133.6580 133.7787 133.9682 134.2390 134.5952 135.0446 135.1290 135.4115 135.6725 136.0566 136.2532 136.9713 137.4600 137.7248 137.8739 138.0262 138.2306 138.3610 138.4645 138.6820 139.3094 139.4669 139.8708 140.1007 140.4195 140.9607 141.1107 141.1668 141.8268 142.0373 142.3358 142.7050 143.3517 143.4609 143.8728 143.9385 144.0613 144.1402 144.1845 144.3878 144.8442 144.9487 145.1819 145.3495 145.4025 145.8900 146.0180 146.2539 146.6780 146.9397 147.4782 147.5961 147.7280 147.8828 148.0625 148.1255 148.4684 148.7055 149.0358 149.2085 149.6993 149.8676 150.0023 150.3110 150.5708 150.9861 151.2673 151.8022 151.8556 152.2036 152.3396 153.3986 153.6324 153.8235 154.2297 154.6965 155.2075 155.3277 155.8363 155.8467 156.2705 156.8386 157.1040 157.2448 157.3189 157.8991 158.5138 158.8272 159.0832 159.1697 159.6469 159.7292 160.0915 160.9182 161.4015 161.7805 162.2224 162.7488 163.2231 164.3050 165.6371 167.0554 168.2837 168.8348 169.9578 172.1653 172.4878 172.7609 172.9390 174.5708 175.6944 177.3627 178.0193 179.2058 181.2330 183.0358 184.5564 185.2505 186.6968 187.2705 188.6440 189.6077 191.9961 192.6709 195.0258 195.4853 196.5232 198.3187 202.0349 204.4427 206.4817 206.7149 221.3391 222.1634 222.4336 223.0192 223.3338 223.8378 225.8326 226.2283 228.1525 229.5513 294.6090 295.0053 295.9192 298.3238 308.7682 313.3886 607.3756 618.1993 619.6088 625.2684 630.0757 630.7183 631.9113 632.3609 634.0072 634.1111 634.2582 635.1806 636.4524 636.7899 637.5310 639.7236 642.1219 643.3690 647.2427 650.3148 657.2795 658.1072 704.3233 709.5312 877.1689 1199.1282 1212.4191 1215.1429 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 -0.023265 -0.040690 -0.271552 -0.376183 -0.295551 -0.002533 0.116847 -0.019798 -0.168778 -0.252308 -0.270402 -0.244106 0.378245 0.091047 0.331128 0.031994 -0.265528 -0.208729 -0.155176 0.250463 -0.084062 -0.211156 0.255525 -0.207595 -0.183506 -0.092564 -0.102710 -0.141708 0.110944 0.105061 0.090160 0.087272 0.101559 0.094171 0.096704 0.088221 0.117613 0.119803 0.131369 0.115487 0.128318 0.128983 0.124887 0.136902 0.126178 0.131950 0.127071 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 17.0233 17.0407 8.2716 8.3762 8.2956 7.0025 5.8832 6.0198 6.1688 6.2523 6.2704 6.2441 5.6218 5.9090 5.6689 5.9680 6.2655 6.2087 6.1552 5.7495 6.0841 6.2112 5.7445 6.2076 6.1835 6.0926 6.1027 6.1417 0.8891 0.8949 0.9098 0.9127 0.8984 0.9058 0.9033 0.9118 0.8824 0.8802 0.8686 0.8845 0.8717 0.8710 0.8751 0.8631 0.8738 0.8680 0.8729 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 -0.0233 -0.0407 -0.2716 -0.3762 -0.2956 -0.0025 0.1168 -0.0198 -0.1688 -0.2523 -0.2704 -0.2441 0.3782 0.0910 0.3311 0.0320 -0.2655 -0.2087 -0.1552 0.2505 -0.0841 -0.2112 0.2555 -0.2076 -0.1835 -0.0926 -0.1027 -0.1417 0.1109 0.1051 0.0902 0.0873 0.1016 0.0942 0.0967 0.0882 0.1176 0.1198 0.1314 0.1155 0.1283 0.1290 0.1249 0.1369 0.1262 0.1320 0.1271 1.3114 1.2651 2.1344 2.1310 2.1194 3.1191 3.7218 3.8451 3.8773 3.9039 3.9155 3.9062 4.1877 4.2082 3.7759 3.7790 4.0393 3.9735 3.9858 3.8338 3.9570 4.0397 3.7808 4.0479 3.9710 3.9306 3.9431 3.9626 1.0255 1.0231 1.0017 1.0026 1.0195 1.0011 1.0062 1.0006 1.0171 1.0448 1.0218 1.0103 1.0001 1.0125 1.0134 1.0027 0.9989 0.9988 1.0002 1.3114 1.2651 2.1344 2.1310 2.1194 3.1191 3.7218 3.8451 3.8773 3.9039 3.9155 3.9062 4.1877 4.2082 3.7759 3.7790 4.0393 3.9735 3.9858 3.8338 3.9570 4.0397 3.7808 4.0479 3.9710 3.9306 3.9431 3.9626 1.0255 1.0231 1.0017 1.0026 1.0195 1.0011 1.0062 1.0006 1.0171 1.0448 1.0218 1.0103 1.0001 1.0125 1.0134 1.0027 0.9989 0.9988 1.0002 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 1.2152 1.1484 1.1437 0.8407 1.9552 1.0178 0.9256 3.0534 0.9567 0.8457 0.9610 0.9292 0.9187 0.9783 0.9960 1.0149 1.0211 0.9923 0.9894 0.9826 0.9958 0.9899 0.9896 1.8681 0.9768 0.9107 0.9308 0.9978 1.3793 1.3997 1.3957 0.9401 1.4335 0.9582 1.3873 1.4718 0.9746 0.9702 1.4247 1.3681 1.4369 0.9716 1.4393 0.9664 1.4289 0.9741 1.4301 0.9698 0.9760 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 -0.023632066 -2050.683320089417 14.11384 -14.10997 0.00387 -8.55414 8.78175 0.22761 26.54552 -24.65978 1.88575 1.89944 4.82799