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:2.3393,-5.5313,1.3514;1.8111,-7.2208,-.9242;-1.5225,-.9975,-.6653;.0511,-.9939,.9273;-.0502,4.0239,1.3454;-4.7935,-.5523,-.5022;1.8457,-2.0325,-1.4268;1.4472,-3.1803,-.5471;.3831,-2.2436,-1.0879;2.6284,-.9041,-.7994;2.2262,-2.2821,-2.867;1.4675,-4.5731,-1.0109;-.3345,-1.3598,-.1486;1.8238,-5.6256,-.2842;-2.2957,-.0752,.0968;-1.9048,1.3464,-.2233;-3.6922,-.3488,-.2482;-1.1843,2.0793,.7067;-2.2298,1.9022,-1.4555;-.79,3.3769,.4067;-1.8266,3.194,-1.7452;-1.105,3.9384,-.824;-.179,5.3749,1.5092;-1.4227,5.9904,1.5768;.984,6.1129,1.6682;-1.4909,7.3567,1.7992;.9003,7.4774,1.9001;-.3343,8.1058,1.9609;1.67,-3.0378,.5041;-.2277,-2.6179,-1.9015;3.696,-1.1023,-.9043;2.4176,-.7749,.2587;2.4167,.0412,-1.302;3.2627,-2.6147,-2.9385;2.1309,-1.3612,-3.4438;1.6037,-3.0316,-3.3541;1.1611,-4.7757,-2.0296;-2.1733,-.2638,1.1676;-.9132,1.6493,1.6626;-2.8014,1.3369,-2.1805;-2.0744,3.6323,-2.7024;-.7926,4.9462,-1.0644;-2.3298,5.4104,1.4641;1.9431,5.6146,1.6168;-2.459,7.8364,1.8546;1.8088,8.0511,2.0275;-.396,9.171,2.1377; 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 2651.9810035560 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 6.849e-06 Time for diagonalization 0.270 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.266 sec Total time needed 0.542 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:2.3393,-5.5313,1.3514;1.8111,-7.2208,-.9242;-1.5225,-.9975,-.6653;.0511,-.9939,.9273;-.0502,4.0239,1.3454;-4.7935,-.5523,-.5022;1.8457,-2.0325,-1.4268;1.4472,-3.1803,-.5471;.3831,-2.2436,-1.0879;2.6284,-.9041,-.7994;2.2262,-2.2821,-2.867;1.4675,-4.5731,-1.0109;-.3345,-1.3598,-.1486;1.8238,-5.6256,-.2842;-2.2957,-.0752,.0968;-1.9048,1.3464,-.2233;-3.6922,-.3488,-.2482;-1.1843,2.0793,.7067;-2.2298,1.9022,-1.4555;-.79,3.3769,.4067;-1.8266,3.194,-1.7452;-1.105,3.9384,-.824;-.179,5.3749,1.5092;-1.4227,5.9904,1.5768;.984,6.1129,1.6682;-1.4909,7.3567,1.7992;.9003,7.4774,1.9001;-.3343,8.1058,1.9609;1.67,-3.0378,.5041;-.2277,-2.6179,-1.9015;3.696,-1.1023,-.9043;2.4176,-.7749,.2587;2.4167,.0412,-1.302;3.2627,-2.6147,-2.9385;2.1309,-1.3612,-3.4438;1.6037,-3.0316,-3.3541;1.1611,-4.7757,-2.0296;-2.1733,-.2638,1.1676;-.9132,1.6493,1.6626;-2.8014,1.3369,-2.1805;-2.0744,3.6323,-2.7024;-.7926,4.9462,-1.0644;-2.3298,5.4104,1.4641;1.9431,5.6146,1.6168;-2.459,7.8364,1.8546;1.8088,8.0511,2.0275;-.396,9.171,2.1377; 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:2.3393,-5.5313,1.3514;1.8111,-7.2208,-.9242;-1.5225,-.9975,-.6653;.0511,-.9939,.9273;-.0502,4.0239,1.3454;-4.7935,-.5523,-.5022;1.8457,-2.0325,-1.4268;1.4472,-3.1803,-.5471;.3831,-2.2436,-1.0879;2.6284,-.9041,-.7994;2.2262,-2.2821,-2.867;1.4675,-4.5731,-1.0109;-.3345,-1.3598,-.1486;1.8238,-5.6256,-.2842;-2.2957,-.0752,.0968;-1.9048,1.3464,-.2233;-3.6922,-.3488,-.2482;-1.1843,2.0793,.7067;-2.2298,1.9022,-1.4555;-.79,3.3769,.4067;-1.8266,3.194,-1.7452;-1.105,3.9384,-.824;-.179,5.3749,1.5092;-1.4227,5.9904,1.5768;.984,6.1129,1.6682;-1.4909,7.3567,1.7992;.9003,7.4774,1.9001;-.3343,8.1058,1.9609;1.67,-3.0378,.5041;-.2277,-2.6179,-1.9015;3.696,-1.1023,-.9043;2.4176,-.7749,.2587;2.4167,.0412,-1.302;3.2627,-2.6147,-2.9385;2.1309,-1.3612,-3.4438;1.6037,-3.0316,-3.3541;1.1611,-4.7757,-2.0296;-2.1733,-.2638,1.1676;-.9132,1.6493,1.6626;-2.8014,1.3369,-2.1805;-2.0744,3.6323,-2.7024;-.7926,4.9462,-1.0644;-2.3298,5.4104,1.4641;1.9431,5.6146,1.6168;-2.459,7.8364,1.8546;1.8088,8.0511,2.0275;-.396,9.171,2.1377; -2050.66181916 2651.98100356 -4702.64282272 -8079.18782320 3376.54500048 -4095.19371329 2044.53189412 2.00299820 108.000048613104 108.000048613104 216.000097226209 -151.870318491191 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 -2765.7076 -2765.6555 -525.3377 -524.7787 -523.4534 -392.7686 -283.7892 -283.0115 -282.9736 -281.9270 -281.7220 -280.9854 -280.9834 -280.7288 -280.6882 -280.6769 -280.6002 -280.2972 -280.2222 -280.2078 -280.1634 -280.0926 -280.0784 -280.0231 -279.9670 -279.9034 -279.9004 -279.6404 -260.9760 -260.9235 -199.8193 -199.7686 -199.5709 -199.5635 -199.5160 -199.5115 -34.2549 -33.2074 -31.6766 -28.5654 -28.2742 -27.9585 -27.4123 -26.8824 -26.0686 -25.5649 -24.4908 -24.3553 -23.9512 -23.8534 -23.3972 -23.2247 -22.4169 -21.4607 -20.8637 -20.2688 -19.9681 -19.6111 -19.3039 -18.6622 -18.4594 -18.2934 -17.5813 -17.2118 -17.1990 -16.6365 -16.4957 -16.4276 -16.2312 -16.1118 -15.9979 -15.6506 -15.3198 -15.0960 -15.0170 -14.8313 -14.6159 -14.5740 -14.3141 -14.2245 -14.1032 -14.0378 -13.8384 -13.5563 -13.4617 -13.2586 -13.2088 -13.1511 -12.9877 -12.8026 -12.7373 -12.4932 -12.4241 -12.2394 -12.1917 -12.0183 -11.8866 -11.7782 -11.6754 -11.5075 -11.2556 -10.8740 -10.6635 -9.9198 -9.6771 -9.5804 -9.0683 -8.6831 0.7595 1.1880 1.2336 1.5039 1.8212 2.0487 2.4893 2.6264 2.7445 2.9495 3.1218 3.4418 3.5289 3.6787 3.9691 4.0834 4.2008 4.2867 4.3900 4.5312 4.5492 4.6509 4.8246 4.8703 4.9348 5.0442 5.2074 5.3611 5.4612 5.6877 5.7620 5.8242 5.8825 5.9922 6.0660 6.3052 6.4017 6.6096 6.7260 6.7680 7.0111 7.0804 7.1996 7.3649 7.4322 7.5405 7.5956 7.7319 7.7673 7.8660 7.8799 8.0022 8.0867 8.1300 8.2551 8.3452 8.4852 8.5874 8.6572 8.6884 8.8959 9.0969 9.1706 9.2501 9.2776 9.3882 9.5658 9.6424 9.8058 9.9004 9.9733 10.0111 10.1127 10.2626 10.4022 10.5174 10.6035 10.6131 10.7875 10.8880 10.9753 11.1216 11.1819 11.2413 11.3494 11.4358 11.4960 11.6115 11.6411 11.6913 11.7478 11.8629 11.9567 12.0957 12.1460 12.2354 12.3829 12.3988 12.5132 12.6031 12.6782 12.7801 12.8841 13.0055 13.0138 13.0726 13.1477 13.2356 13.4366 13.5161 13.5456 13.5923 13.6438 13.7600 13.8045 13.8865 13.8902 13.9989 14.1603 14.2295 14.3507 14.4672 14.6261 14.7108 14.8364 14.9231 14.9390 15.0669 15.1876 15.2057 15.3267 15.4241 15.5201 15.6319 15.6764 15.8297 15.8583 15.9765 16.1819 16.1924 16.2494 16.2915 16.3760 16.4341 16.6528 16.6728 16.8082 16.8684 17.0399 17.1727 17.4751 17.5036 17.7046 17.8404 17.9961 18.0971 18.3392 18.4232 18.6117 18.6587 18.7874 18.9161 19.1541 19.2821 19.3978 19.5155 19.6249 19.7013 19.7372 20.1166 20.1834 20.3080 20.3584 20.4175 20.4445 20.7387 20.9331 20.9646 21.0521 21.1279 21.2843 21.3107 21.4445 21.5813 21.7109 21.7695 21.9097 22.0472 22.4135 22.4782 22.6278 22.8248 22.9250 23.0531 23.1536 23.2737 23.3683 23.5502 23.6930 23.8087 23.9578 24.0530 24.1650 24.2080 24.3009 24.5156 24.6924 24.7432 24.9736 25.1192 25.4459 25.6358 25.7648 25.9710 26.1830 26.2232 26.5661 26.7565 26.7920 26.8972 26.9779 27.1708 27.3255 27.4133 27.6011 27.7390 27.7977 27.9301 28.0425 28.2359 28.4675 28.5277 28.5729 28.7363 28.9528 29.0640 29.1608 29.2711 29.4419 29.5236 29.6027 29.7896 29.9280 30.1317 30.1871 30.2916 30.3349 30.5920 30.7267 30.8859 30.9486 31.1674 31.3471 31.5061 31.6605 31.7504 31.8160 32.1127 32.1840 32.3320 32.4088 32.5396 32.6220 32.7226 32.9804 33.1206 33.2486 33.5563 33.6367 33.8494 33.9521 34.1450 34.2101 34.3668 34.4601 34.6031 34.7347 34.8826 34.9795 35.0745 35.3212 35.4410 35.5211 35.6839 35.9386 35.9805 36.0085 36.0589 36.2100 36.4377 36.6810 36.7782 36.9391 37.0913 37.1553 37.3184 37.4868 37.5903 37.6529 37.7359 37.9546 38.0199 38.1352 38.3043 38.3528 38.4621 38.5463 38.7161 38.8393 38.8771 39.1332 39.2406 39.4534 39.5608 39.6304 39.8809 40.1832 40.2150 40.3523 40.5843 40.5976 40.8059 40.8911 40.9624 41.0430 41.2956 41.3838 41.6276 41.6707 41.9296 41.9973 42.1218 42.1917 42.3636 42.4662 42.7731 42.9941 43.0803 43.2597 43.3380 43.4610 43.4888 43.6385 43.6892 43.8764 44.0323 44.1030 44.2343 44.2749 44.5478 44.6073 44.8546 44.9955 45.0915 45.3623 45.4336 45.5038 45.6690 45.8770 46.0036 46.1142 46.2629 46.5912 46.6610 46.9022 46.9247 46.9886 47.2410 47.4002 47.6940 47.8085 47.9000 48.1053 48.1914 48.4126 48.6140 48.7888 48.9642 49.0169 49.3297 49.5387 49.8586 50.0163 50.1307 50.1652 50.6168 50.6944 50.7095 50.7795 50.8874 51.1222 51.2822 51.4318 51.6067 51.6925 51.9662 52.1025 52.2202 52.3518 52.3839 52.5003 52.6352 52.8255 52.9389 53.1411 53.3929 53.7305 54.0116 54.2778 54.4228 54.7596 54.9206 55.1208 55.2755 55.4056 55.6697 55.8617 56.0918 56.1765 56.4220 56.6742 56.8063 56.9403 57.1684 57.4176 57.5156 57.6932 58.0640 58.1494 58.2476 58.4206 58.5934 58.7214 58.7950 58.9955 59.2437 59.3408 59.4417 59.5526 59.7740 59.9460 60.2609 60.3851 60.5860 60.6487 61.1390 61.3351 61.5727 61.7148 61.9936 62.1095 62.3951 62.8011 62.9519 63.0943 63.1699 63.3333 63.4607 63.7664 63.7987 63.9169 64.2679 64.3411 64.6735 64.7273 64.7613 64.9257 65.2343 65.4795 65.6175 65.7567 65.9811 66.1308 66.3236 66.5545 66.7865 67.0984 67.2473 67.4360 67.4679 67.6425 67.8708 68.1256 68.4784 68.5874 68.6704 68.9321 69.1456 69.4102 69.9053 70.0743 70.3165 70.7303 71.1292 71.2416 71.8288 71.9077 71.9280 72.4759 72.5585 72.8301 72.9603 73.2735 73.4388 73.7288 74.0178 74.1377 74.3463 74.4607 74.5657 74.5932 74.8634 74.9626 75.2472 75.5448 75.8204 76.0121 76.2421 76.3276 76.7483 76.7889 76.8980 76.9947 77.2166 77.3205 77.5471 77.7437 77.7973 77.8628 78.0048 78.1829 78.2737 78.5538 78.7336 78.7989 78.8849 79.1330 79.2176 79.2887 79.3932 79.5077 79.5260 79.6103 79.8061 79.9130 80.1215 80.3368 80.5186 80.6713 80.9278 81.1267 81.1675 81.3553 81.4238 81.6239 81.7954 81.9531 82.0087 82.1473 82.3118 82.3706 82.4974 82.5130 82.7314 82.8195 82.9982 83.2313 83.3418 83.5415 83.8280 83.9726 84.1576 84.1998 84.3594 84.4514 84.5609 84.6334 84.8095 84.8185 85.0276 85.1332 85.2664 85.3577 85.4305 85.5285 85.6438 85.7616 85.9120 85.9813 86.1636 86.2977 86.3134 86.5763 86.8154 86.9201 87.1416 87.2988 87.5455 87.6630 87.7550 87.8637 87.9211 88.1143 88.3246 88.3660 88.5074 88.5837 88.6977 88.8348 88.8957 88.9756 89.1114 89.3335 89.4857 89.5639 89.6004 89.6547 89.9040 90.0109 90.1610 90.3023 90.3368 90.6805 90.8169 90.8832 91.1348 91.2154 91.2772 91.4449 91.6724 91.9421 92.0957 92.1487 92.2679 92.3228 92.3544 92.4434 92.5304 92.8541 92.8954 93.0383 93.1550 93.3223 93.3786 93.4998 93.6641 93.7076 93.8705 93.9240 94.0731 94.2712 94.3697 94.4177 94.5351 94.7339 94.8235 94.8932 95.0934 95.2369 95.3539 95.5077 95.5440 95.8229 96.0027 96.1055 96.2391 96.4912 96.7008 96.7158 96.8915 97.0522 97.0848 97.1710 97.4986 97.5906 97.7521 97.8699 98.0247 98.1168 98.2578 98.3119 98.4018 98.5034 98.6412 98.7175 98.9387 98.9594 99.2808 99.5038 99.8643 99.9464 100.1473 100.2678 100.4238 100.6348 100.9307 101.0550 101.2088 101.5657 101.8287 102.1358 102.2213 102.3420 102.6466 102.7370 102.8311 103.1709 103.5233 103.7993 103.9234 104.1931 104.2268 104.3980 104.5703 104.6550 104.8491 105.1136 105.1879 105.2723 105.2968 105.4625 105.5471 105.6326 105.7406 106.1122 106.1536 106.2656 106.3144 106.4460 106.5916 106.8985 107.0212 107.0799 107.2408 107.4385 107.6815 107.7857 108.0160 108.0826 108.2317 108.5103 108.7621 109.0032 109.0976 109.3005 109.3928 109.6106 109.8494 109.9437 110.3704 110.3989 110.4960 110.5735 110.6361 110.8290 110.8961 111.1197 111.2488 111.3355 111.4486 111.6374 111.8297 112.0072 112.4282 112.5720 112.7729 112.8399 113.0859 113.2319 113.3298 113.4594 113.7739 114.0116 114.0590 114.2703 114.4359 114.5550 114.9582 115.0089 115.1201 115.3364 115.5573 115.7715 115.9643 116.0790 116.1376 116.3708 116.4538 116.5115 116.6015 116.7112 117.0035 117.1329 117.3628 117.4317 117.5861 117.7245 117.7959 117.8396 118.0781 118.2211 118.2845 118.4594 118.5328 118.6427 118.7291 118.9755 119.1498 119.4459 119.7405 119.7576 120.0986 120.1446 120.2236 120.3987 120.5765 120.9615 121.0588 121.3094 121.5167 121.6507 121.8734 122.0954 122.1839 122.6066 122.9145 123.1268 123.3327 123.5026 123.6792 123.9538 124.0720 124.2266 125.2670 125.3968 125.5235 125.6850 125.9551 126.2637 126.4529 126.7754 127.0358 127.2955 127.5805 127.8269 128.1106 128.3907 128.5188 128.7038 128.8462 128.8853 129.2137 129.4400 129.5288 129.7308 129.8225 130.0658 130.3477 130.3910 130.4442 130.7600 130.8411 131.1567 131.4221 131.7356 131.9054 132.1263 132.2591 132.4657 132.6258 132.9941 133.0695 133.1951 133.9231 134.0841 134.2679 134.6786 134.8575 135.0537 135.4708 135.5652 135.7741 136.2459 136.4308 136.9020 137.2943 137.7033 137.9015 138.1486 138.1642 138.3114 138.6203 138.8551 138.9470 139.2452 139.3414 140.3682 140.8462 140.9302 141.2305 141.3910 141.6691 142.1389 142.7376 142.8781 143.7292 143.8001 143.9726 144.0039 144.0914 144.2471 144.3499 144.7243 145.0193 145.1381 145.4299 145.6902 145.8123 146.0619 146.2420 146.7007 146.8848 147.1395 147.2499 147.5539 147.8940 148.0733 148.1881 148.5745 148.7959 149.2469 149.3445 149.7254 150.1058 150.1654 150.4745 150.8748 151.2325 151.5737 151.9709 151.9858 152.3278 152.6354 153.1801 153.4467 154.3672 154.4911 154.5973 155.5679 155.6215 156.2171 156.5219 156.8864 156.9876 157.1774 157.2991 157.5134 158.3756 158.8771 159.1167 159.2536 159.3794 159.5632 160.3106 160.6342 161.4358 161.6688 161.8342 162.5214 163.5320 164.1014 164.4071 165.1329 167.0480 168.0755 168.9061 170.1749 171.9528 172.4603 172.7150 172.7954 174.0413 175.6559 177.5687 178.6129 179.1902 180.8075 182.3048 184.9145 185.8617 186.6086 187.2473 189.2067 189.7767 192.0578 192.4195 193.5096 195.6055 196.2706 198.7685 202.0928 204.7676 206.4194 206.4560 221.3071 221.6450 222.3725 222.9025 222.9121 223.4994 225.7305 225.9679 227.9098 229.3248 294.4743 294.7463 295.6952 297.1174 308.5491 313.3367 608.9318 617.8712 620.1318 625.2589 628.7664 630.8885 631.4190 632.4775 633.8772 634.2876 635.1102 635.1244 636.4993 636.6719 637.3842 639.2694 641.7830 643.0308 646.9722 650.0886 657.1446 657.9991 702.1461 708.1198 876.6739 1200.2855 1212.6505 1214.8981 -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 -0.038297 -0.044049 -0.259399 -0.381515 -0.295483 -0.002089 0.065667 0.041452 -0.092704 -0.247354 -0.247340 -0.202634 0.365115 0.051271 0.315901 0.001792 -0.258103 -0.150708 -0.166423 0.191477 -0.117141 -0.144003 0.230203 -0.156482 -0.202099 -0.117618 -0.095289 -0.139050 0.087235 0.082648 0.090228 0.102617 0.089619 0.100035 0.094738 0.074091 0.096677 0.120404 0.120939 0.122694 0.131889 0.135915 0.135434 0.126903 0.128943 0.126769 0.127124 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 17.0383 17.0440 8.2594 8.3815 8.2955 7.0021 5.9343 5.9585 6.0927 6.2474 6.2473 6.2026 5.6349 5.9487 5.6841 5.9982 6.2581 6.1507 6.1664 5.8085 6.1171 6.1440 5.7698 6.1565 6.2021 6.1176 6.0953 6.1391 0.9128 0.9174 0.9098 0.8974 0.9104 0.9000 0.9053 0.9259 0.9033 0.8796 0.8791 0.8773 0.8681 0.8641 0.8646 0.8731 0.8711 0.8732 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 -0.0383 -0.0440 -0.2594 -0.3815 -0.2955 -0.0021 0.0657 0.0415 -0.0927 -0.2474 -0.2473 -0.2026 0.3651 0.0513 0.3159 0.0018 -0.2581 -0.1507 -0.1664 0.1915 -0.1171 -0.1440 0.2302 -0.1565 -0.2021 -0.1176 -0.0953 -0.1391 0.0872 0.0826 0.0902 0.1026 0.0896 0.1000 0.0947 0.0741 0.0967 0.1204 0.1209 0.1227 0.1319 0.1359 0.1354 0.1269 0.1289 0.1268 0.1271 1.2890 1.2610 2.1349 2.1221 2.1090 3.1178 3.7607 3.8307 3.8687 3.9159 3.9097 3.9222 4.2317 4.2539 3.8283 3.6727 4.0248 4.0247 4.0379 3.9112 3.9598 3.9440 3.8100 3.9418 4.0354 3.9480 3.9378 3.9568 1.0492 1.0352 1.0014 1.0206 1.0016 1.0023 1.0039 1.0103 1.0313 1.0194 1.0323 1.0160 1.0008 1.0026 1.0025 1.0131 0.9996 0.9988 1.0000 1.2890 1.2610 2.1349 2.1221 2.1090 3.1178 3.7607 3.8307 3.8687 3.9159 3.9097 3.9222 4.2317 4.2539 3.8283 3.6727 4.0248 4.0247 4.0379 3.9112 3.9598 3.9440 3.8100 3.9418 4.0354 3.9480 3.9378 3.9568 1.0492 1.0352 1.0014 1.0206 1.0016 1.0023 1.0039 1.0103 1.0313 1.0194 1.0323 1.0160 1.0008 1.0026 1.0025 1.0131 0.9996 0.9988 1.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.1980 1.1555 1.1421 0.8671 1.9302 0.9903 0.9391 3.0597 0.9127 0.8608 0.9645 0.9535 0.9086 1.0249 0.9864 1.0483 1.0146 0.9885 0.9837 0.9901 0.9945 0.9876 0.9875 1.8711 0.9524 0.9245 0.9166 1.0032 1.3859 1.3788 1.4452 0.9531 1.4744 0.9654 1.3842 1.4196 0.9707 0.9601 1.3712 1.4236 1.4339 0.9647 1.4406 0.9706 1.4321 0.9715 1.4274 0.9742 0.9765 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 -0.022759197 -2050.684578360912 1.73751 -0.57023 1.16728 43.33408 -41.91711 1.41697 -9.55707 8.73656 -0.82052 2.01087 5.11123