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 Cl Cl F F F F F F F F F O O O N N C C C C C C C C C C C C C C C C C H H H H H H H 1 1 2 2 2 2 2 2 2 2 2 3 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 522.0851287999997 AuxInfo=1/0/N:33,31,32,25,23,29,30,20,27,22,24,19,28,17,26,21,18,2,1,10,11,9,3,6,7,8,4,5,15,16,14,13,12/E:(2,3)(6,7)(20,21)(24,25,26)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,31.1,32.1/rA:40nClClFFFFFFFFFOO1O1NNCCC3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHH/rB:;;;;;;;;;;;;;;;s3;s4s5s12s17;s12;s15;s6s7s8s17;s1s19;s2s19;s9s20s22;s20s23;s13s15s16;;s14s16s27;s10s27;s11s27;s29;s30;s31s32;s17;s25;s15;s16;s31;s32;s33;/rC:2.3504,-.2218,2.7155;2.0722,1.9777,-2.1952;5.8609,.1274,1.3526;3.8743,-1.2874,.2402;4.027,-.2365,-1.6211;6.4663,-1.967,-.4783;7.9202,-.4109,-.203;6.7273,-.4573,-1.9947;-.5098,-.2868,2.4685;-6.4723,-.4886,2.0127;-6.3317,.5036,-2.546;3.4544,.9042,.2139;-2.1964,-1.7851,.7681;-4.4664,1.3991,-.5228;-2.0855,.4318,.277;-4.1175,-.7084,.2723;5.6819,.2384,-.0007;4.2203,-.1057,-.2974;2.0924,.7537,.2103;-.6901,.5171,.2657;6.7051,-.6724,-.6809;1.4565,.2285,1.3293;1.3253,1.204,-.8559;.0756,.1394,1.3587;-.0504,1.0693,-.8338;-2.733,-.7407,.4593;-6.351,.0079,-.2644;-4.8957,.3136,-.183;-7.103,-.3563,.8431;-7.0343,.167,-1.4628;-8.465,-.56,.7841;-8.3925,-.0353,-1.5746;-9.1006,-.3964,-.4372;5.8763,1.2682,-.3152;-.6419,1.3987,-1.6775;-2.6047,1.1988,-.1405;-4.5663,-1.5987,.4506;-9.0153,-.8352,1.6733;-8.8855,.0859,-2.5293;-10.1678,-.5536,-.5049; 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 1698 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 262 Dim 1143 ENuc 3864.3255753023 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 7.758e-06 Time for diagonalization 0.267 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.245 sec Total time needed 0.519 sec 17 17 9 9 9 9 9 9 9 9 9 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 522.0851287999997 AuxInfo=1/0/N:33,31,32,25,23,29,30,20,27,22,24,19,28,17,26,21,18,2,1,10,11,9,3,6,7,8,4,5,15,16,14,13,12/E:(2,3)(6,7)(20,21)(24,25,26)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,31.1,32.1/rA:40nClClFFFFFFFFFOO1O1NNCCC3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHH/rB:;;;;;;;;;;;;;;;s3;s4s5s12s17;s12;s15;s6s7s8s17;s1s19;s2s19;s9s20s22;s20s23;s13s15s16;;s14s16s27;s10s27;s11s27;s29;s30;s31s32;s17;s25;s15;s16;s31;s32;s33;/rC:2.3504,-.2218,2.7155;2.0722,1.9777,-2.1952;5.8609,.1274,1.3526;3.8743,-1.2874,.2402;4.027,-.2365,-1.6211;6.4663,-1.967,-.4783;7.9202,-.4109,-.203;6.7273,-.4573,-1.9947;-.5098,-.2868,2.4685;-6.4723,-.4886,2.0127;-6.3317,.5036,-2.546;3.4544,.9042,.2139;-2.1964,-1.7851,.7681;-4.4664,1.3991,-.5228;-2.0855,.4318,.277;-4.1175,-.7084,.2723;5.6819,.2384,-.0007;4.2203,-.1057,-.2974;2.0924,.7537,.2103;-.6901,.5171,.2657;6.7051,-.6724,-.6809;1.4565,.2285,1.3293;1.3253,1.204,-.8559;.0756,.1394,1.3587;-.0504,1.0693,-.8338;-2.733,-.7407,.4593;-6.351,.0079,-.2644;-4.8957,.3136,-.183;-7.103,-.3563,.8431;-7.0343,.167,-1.4628;-8.465,-.56,.7841;-8.3925,-.0353,-1.5746;-9.1006,-.3964,-.4372;5.8763,1.2682,-.3152;-.6419,1.3987,-1.6775;-2.6047,1.1988,-.1405;-4.5663,-1.5987,.4506;-9.0153,-.8352,1.6733;-8.8855,.0859,-2.5293;-10.1678,-.5536,-.5049; 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 cpcm smd true smdsolvent "WATER" 522.0851287999997 AuxInfo=1/0/N:33,31,32,25,23,29,30,20,27,22,24,19,28,17,26,21,18,2,1,10,11,9,3,6,7,8,4,5,15,16,14,13,12/E:(2,3)(6,7)(20,21)(24,25,26)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,31.1,32.1/rA:40nClClFFFFFFFFFOO1O1NNCCC3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHH/rB:;;;;;;;;;;;;;;;s3;s4s5s12s17;s12;s15;s6s7s8s17;s1s19;s2s19;s9s20s22;s20s23;s13s15s16;;s14s16s27;s10s27;s11s27;s29;s30;s31s32;s17;s25;s15;s16;s31;s32;s33;/rC:2.3504,-.2218,2.7155;2.0722,1.9777,-2.1952;5.8609,.1274,1.3526;3.8743,-1.2874,.2402;4.027,-.2365,-1.6211;6.4663,-1.967,-.4783;7.9202,-.4109,-.203;6.7273,-.4573,-1.9947;-.5098,-.2868,2.4685;-6.4723,-.4886,2.0127;-6.3317,.5036,-2.546;3.4544,.9042,.2139;-2.1964,-1.7851,.7681;-4.4664,1.3991,-.5228;-2.0855,.4318,.277;-4.1175,-.7084,.2723;5.6819,.2384,-.0007;4.2203,-.1057,-.2974;2.0924,.7537,.2103;-.6901,.5171,.2657;6.7051,-.6724,-.6809;1.4565,.2285,1.3293;1.3253,1.204,-.8559;.0756,.1394,1.3587;-.0504,1.0693,-.8338;-2.733,-.7407,.4593;-6.351,.0079,-.2644;-4.8957,.3136,-.183;-7.103,-.3563,.8431;-7.0343,.167,-1.4628;-8.465,-.56,.7841;-8.3925,-.0353,-1.5746;-9.1006,-.3964,-.4372;5.8763,1.2682,-.3152;-.6419,1.3987,-1.6775;-2.6047,1.1988,-.1405;-4.5663,-1.5987,.4506;-9.0153,-.8352,1.6733;-8.8855,.0859,-2.5293;-10.1678,-.5536,-.5049; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2251 GEPOL Volume 3021.3352 GEPOL Surface-area 1596.0815 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.3s -2806.51381791 3864.32557530 -6670.83939321 -11565.91843211 4895.07903890 -0.04381399 -5605.18073539 2798.66691748 2.00280380 131.000076405592 131.000076405592 262.000152811185 -203.039104456393 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.8251 -2765.6474 -675.8421 -675.8364 -675.8073 -675.6481 -675.6391 -675.5054 -675.2915 -675.2718 -675.2458 -525.5570 -523.6287 -523.1287 -394.1600 -393.7952 -287.1040 -286.6018 -284.0994 -283.8237 -283.2933 -282.8959 -282.7267 -282.7072 -282.5437 -282.2033 -282.0897 -281.7976 -280.7300 -280.6198 -280.3791 -280.0876 -280.0813 -261.0898 -260.9178 -199.9387 -199.7618 -199.6853 -199.6718 -199.5139 -199.5037 -39.7482 -38.9282 -37.5164 -37.2758 -37.2486 -37.2021 -37.1607 -37.0117 -36.8354 -33.8496 -33.1426 -32.4801 -29.6480 -29.1377 -28.4535 -27.6707 -27.4606 -26.1960 -25.8929 -24.8422 -24.4298 -24.0861 -23.7041 -23.0511 -22.1412 -21.6535 -21.0237 -20.7034 -20.6167 -20.3530 -20.0184 -19.9636 -19.8258 -19.7180 -19.3380 -19.1172 -18.8694 -18.5831 -18.5358 -18.1657 -17.8826 -17.6165 -17.5496 -17.3246 -17.0498 -16.6371 -16.5355 -16.4557 -16.4134 -16.2519 -16.1614 -16.0723 -15.9835 -15.9053 -15.7012 -15.6155 -15.4279 -15.4184 -15.3858 -15.2042 -15.1972 -15.1249 -15.0752 -14.9706 -14.8530 -14.6843 -14.5656 -14.4963 -14.3196 -13.8939 -13.6644 -13.5932 -13.2392 -13.1326 -13.0790 -12.9856 -12.9067 -12.8938 -12.4825 -12.1557 -11.8003 -11.5693 -11.3286 -11.0083 -10.8774 -10.7672 -9.8147 -9.4732 -9.4496 -9.2333 0.3985 0.8009 1.0812 1.6281 1.9000 2.0708 3.2726 3.3229 3.4576 3.8298 3.9125 4.0811 4.2869 4.4376 4.8593 5.0040 5.1180 5.3550 5.4501 5.5070 5.5572 5.6985 5.8699 5.9610 6.0331 6.0678 6.2841 6.3810 6.5108 6.6488 6.8600 7.0281 7.2144 7.4414 7.4926 7.6296 7.6608 7.6768 7.9442 7.9598 8.1885 8.3034 8.3722 8.3957 8.5350 8.6774 8.7112 8.7510 8.7993 9.0028 9.0207 9.0663 9.1545 9.3376 9.3852 9.5577 9.6765 9.8711 9.9691 10.0043 10.2692 10.3639 10.4074 10.4837 10.5234 10.6696 10.7068 10.8681 11.0417 11.1699 11.2445 11.2862 11.4040 11.4707 11.5452 11.6564 11.7383 11.7760 11.8668 11.9226 11.9904 12.0487 12.0950 12.3053 12.3621 12.4482 12.5234 12.7031 12.9198 12.9985 13.1221 13.1533 13.2503 13.4001 13.5331 13.6965 13.8883 13.9421 14.0974 14.1333 14.2049 14.2578 14.3553 14.4688 14.5595 14.5788 14.7620 14.8738 14.9540 15.2492 15.2535 15.4414 15.5153 15.7301 15.8420 15.9190 16.1131 16.1644 16.2797 16.5090 16.5929 16.7958 16.8951 16.9638 17.1235 17.2008 17.2890 17.4476 17.6495 17.7706 17.7881 17.9806 18.2568 18.2898 18.4408 18.5773 18.8209 18.9394 18.9669 19.2225 19.4251 19.6062 19.8240 19.9086 20.0021 20.1505 20.1635 20.3320 20.3548 20.5187 20.6833 20.9401 20.9868 21.0748 21.2753 21.3428 21.5147 21.6892 21.7586 21.8368 21.8709 22.1295 22.2815 22.3365 22.4237 22.5318 22.7169 22.8201 22.8686 23.0182 23.0396 23.1430 23.2196 23.3926 23.5379 23.6148 23.6606 23.8530 23.9421 24.1313 24.2774 24.3709 24.5344 24.7313 24.7637 24.9835 25.0679 25.1834 25.2226 25.3576 25.5773 25.6654 25.8329 25.9521 26.1614 26.2349 26.3626 26.4697 26.6209 26.7818 27.0938 27.1742 27.3762 27.4728 27.5065 27.6335 27.8748 27.9591 28.1202 28.2293 28.4491 28.5707 28.6657 28.8987 29.0181 29.0657 29.3371 29.3937 29.6221 29.7544 29.9798 30.2345 30.3238 30.3639 30.6257 30.6972 30.9300 30.9791 31.0359 31.2497 31.3262 31.6920 31.7429 31.8975 32.0106 32.2711 32.4026 32.5521 32.6766 33.0182 33.1751 33.4026 33.5409 33.8655 33.9504 34.1346 34.4584 34.5999 34.8297 34.8774 35.0342 35.2798 35.3713 35.5110 35.7138 35.8324 35.9931 36.0717 36.1508 36.4095 36.5200 36.8458 37.0761 37.2154 37.3802 37.6366 37.6988 37.7721 37.9424 38.2804 38.4279 38.4960 38.7746 38.9388 39.2041 39.4604 39.5413 39.7208 39.9373 40.0557 40.2662 40.4471 40.7971 41.0261 41.1625 41.3313 41.4994 41.6065 41.8449 41.8822 42.0253 42.3032 42.3958 42.5861 42.7709 43.0758 43.2116 43.5664 43.8893 43.9684 44.1456 44.3676 44.6105 44.7055 45.0807 45.1817 45.3326 45.6507 45.9662 46.1163 46.3953 46.5718 46.6681 46.9421 47.0955 47.3192 47.6803 47.7659 48.1025 48.4056 48.5821 48.6351 48.6839 48.8862 49.0974 49.2258 49.5414 49.6389 50.3465 50.3999 50.6249 50.7374 50.9483 51.1375 51.2500 51.4831 51.5222 51.7044 51.8273 51.9374 52.1955 52.3807 52.5545 52.6575 52.9031 52.9929 53.2148 53.2884 53.4340 53.5675 53.8040 54.0757 54.1098 54.3561 54.5748 54.7270 54.9370 54.9795 55.1307 55.4877 55.6163 55.7764 56.0535 56.2097 56.2223 56.6544 56.7194 56.8232 56.8931 57.1034 57.3239 57.4720 57.6614 57.8098 58.0188 58.0932 58.2255 58.3745 58.5403 58.6066 58.8911 59.1354 59.2778 59.5283 59.6348 59.7442 59.8452 60.0046 60.1639 60.2475 60.4179 60.6719 60.8576 61.1662 61.4070 61.5047 61.7029 61.7243 61.8410 62.2554 62.2892 62.5384 62.8320 63.0404 63.0918 63.3449 63.4578 63.6847 63.7498 63.9881 64.0863 64.2287 64.2549 64.3554 64.3935 64.8168 64.9513 65.1272 65.2021 65.4414 65.5405 65.7025 65.9267 66.1107 66.2888 66.4504 66.6034 66.6124 66.6892 66.8255 66.9876 67.1771 67.2667 67.5015 67.8701 68.2610 68.3392 68.6628 69.1082 69.3975 69.7016 70.0985 70.3268 70.5349 70.6503 70.7379 70.8059 70.9911 71.0508 71.4681 71.8286 72.1002 72.2004 72.5628 72.7793 72.9091 73.1445 73.4048 73.6951 73.9216 74.1785 74.4426 74.8199 74.9792 75.1502 75.4166 75.8401 75.9630 76.1198 76.1860 76.6573 76.8653 77.0384 77.1225 77.2835 77.6072 77.7440 78.1795 78.3161 78.7471 78.8904 79.1559 79.3112 79.4638 79.5147 79.6907 79.7980 79.9555 80.1068 80.1853 80.3566 80.4686 80.5792 80.7652 80.9427 81.2118 81.2152 81.3580 81.6610 81.9994 82.0382 82.1880 82.2763 82.4999 82.5880 82.7961 82.9593 83.0198 83.1105 83.2019 83.3587 83.4603 83.6343 83.8002 83.9262 84.0450 84.2288 84.3353 84.6831 84.7601 84.8471 84.8672 85.1485 85.1646 85.2797 85.5056 85.5604 85.7820 85.8167 85.9423 86.0088 86.1573 86.5103 86.6833 86.7042 86.9806 87.1261 87.2769 87.3736 87.5185 87.7343 87.8232 87.8463 88.0151 88.0886 88.2843 88.4206 88.5419 88.5656 88.6659 88.9230 89.0121 89.1662 89.2542 89.4446 89.6101 89.8979 89.9583 90.0684 90.2070 90.3986 90.9686 91.0149 91.1246 91.2652 91.4853 91.6858 91.8577 91.8815 91.9323 92.1371 92.3613 92.4689 92.6754 92.7178 93.0885 93.1306 93.2415 93.3360 93.5820 93.7591 93.8996 94.0795 94.3716 94.4380 94.6990 94.7416 94.8113 94.9228 95.1664 95.3147 95.5754 95.8801 95.9509 96.0819 96.1187 96.2848 96.4823 96.6179 96.8516 97.1361 97.2142 97.3629 97.5658 97.6463 97.7095 97.9725 98.1718 98.2469 98.5215 98.6736 98.9900 99.0757 99.2088 99.4937 99.8021 100.0935 100.1452 100.2995 100.5300 100.5668 100.8544 101.2461 101.3362 101.5715 101.7406 101.8823 102.1164 102.2228 102.4661 102.7511 102.8243 102.9418 103.3048 103.4789 103.5147 103.8642 104.0532 104.3057 104.5625 104.8089 105.1196 105.1781 105.2627 105.4882 105.6154 105.7916 106.1195 106.2612 106.3772 106.5562 106.7566 107.0857 107.2620 107.5686 107.7338 108.1290 108.3214 108.5001 108.8707 109.0327 109.0891 109.1897 109.8702 109.8876 110.2148 110.4073 110.6555 110.7148 110.8366 111.2290 111.3385 111.6537 111.7231 111.7733 111.8990 112.3210 112.5020 112.7280 112.9292 113.0904 113.5353 113.6583 113.9391 113.9706 114.1036 114.4316 114.6908 114.9387 115.1500 115.3485 115.6128 115.7444 115.8156 116.1301 116.1639 116.3535 116.6220 116.7184 116.8004 116.9767 117.2237 117.2594 117.4036 117.4578 117.7498 118.0119 118.2026 118.4344 118.5792 118.8097 119.2421 119.4082 119.6664 119.7169 119.9555 120.2854 120.7351 120.8141 121.0994 121.4524 121.5669 122.3003 122.4194 122.6362 123.0656 123.5035 123.7134 124.4528 124.5860 125.0532 125.2519 125.8652 126.1923 126.3021 126.7253 127.3758 127.8894 128.4489 128.8222 128.9354 129.6579 129.7622 129.8385 130.2486 130.7603 130.8204 130.9029 131.3769 132.0369 132.3216 132.7274 132.9820 133.2343 133.3391 133.3739 133.6760 134.7201 134.8281 135.0659 135.1961 135.6798 136.6301 136.7237 137.4410 137.7710 138.7203 139.1100 139.4405 139.8311 140.2438 140.5027 140.9030 141.5438 142.5518 142.6853 143.1265 143.7759 144.5855 144.7076 144.8018 145.1557 145.5257 145.6045 145.9005 146.3611 146.6214 147.1504 147.3294 147.4172 147.7576 148.4947 149.1077 149.3181 149.6328 149.7931 150.5704 150.6566 151.0656 151.1458 151.2312 151.5926 151.9890 152.6723 152.9614 153.4511 153.7625 154.1250 154.9610 155.0699 156.4959 156.7346 157.3488 157.9551 158.6775 159.4111 160.2006 161.6555 162.3982 162.7894 163.0877 164.1836 165.2818 166.4235 166.9473 169.3447 170.1698 171.2137 171.3813 171.7406 173.0681 174.8052 175.6058 175.7538 176.4583 177.1017 177.3991 178.0407 179.0185 180.7850 183.2890 184.3204 186.4074 187.0520 187.4197 187.9392 188.2021 188.2173 188.2712 188.3209 188.3726 188.3994 188.4642 188.5430 188.5771 188.6659 188.7535 188.8493 188.8716 188.9929 189.0589 189.1013 189.1289 189.2379 189.3991 189.4066 189.5604 189.5727 189.8411 190.9460 191.5836 191.8893 192.3025 192.3257 192.4483 192.5446 192.6312 192.6685 193.4444 193.5021 193.9546 194.4249 194.4512 194.7145 195.3334 195.5479 195.6324 195.6604 195.9272 196.3164 196.4572 197.7362 198.3902 199.2235 199.2454 199.3426 199.7980 200.5710 200.6386 201.5429 202.1201 202.4564 202.8540 203.0813 203.5676 204.0243 205.0399 205.1043 205.5867 205.6326 205.9633 207.3671 208.4552 209.6673 209.9775 210.0009 210.6703 212.8198 221.8516 222.0620 223.3516 223.4434 223.5928 224.0840 227.4229 227.4913 227.6102 227.7973 228.3042 228.9148 229.0050 229.5340 229.8271 229.8787 230.3107 230.4490 230.6499 231.6094 232.6276 232.7381 233.3603 234.3833 235.0847 235.1089 235.4385 235.8626 238.7460 239.8755 240.7155 240.8791 240.9715 241.0697 241.2147 243.3844 243.7508 244.3012 244.9337 245.3449 245.9326 246.2091 246.8496 247.1689 247.3304 247.3365 247.4756 247.6598 248.1873 248.2786 248.4452 248.8122 249.6560 250.3337 250.6521 294.8428 295.0411 298.0103 298.6656 312.3858 312.8506 608.4574 611.5363 622.6653 623.1363 624.8962 628.1404 628.8628 629.5884 629.9271 631.2555 633.4593 633.7406 634.8128 642.8208 645.1701 646.2872 654.4142 714.9340 718.6976 898.2174 903.2011 1197.4388 1198.8726 1212.1977 1557.6155 1558.7275 1560.9201 1562.3569 1562.3581 1563.6820 1563.9127 1564.1361 1566.2013 -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 Cl Cl F F F F F F F F F O O O N N C C C C C C C C C C C C C C C C C H H H H H H H -0.034374 -0.049962 -0.205578 -0.175976 -0.176409 -0.163197 -0.163072 -0.162345 -0.187015 -0.207478 -0.204132 -0.306648 -0.505912 -0.460422 -0.211854 -0.155616 0.128268 0.447240 0.235959 0.083957 0.460561 -0.006374 0.008248 0.209248 -0.157191 0.434982 -0.138356 0.422319 0.312599 0.304807 -0.242259 -0.242534 -0.065106 0.139420 0.139757 0.211923 0.202440 0.155567 0.154432 0.170084 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 Cl Cl F F F F F F F F F O O O N N C C C C C C C C C C C C C C C C C H H H H H H H 17.0344 17.0500 9.2056 9.1760 9.1764 9.1632 9.1631 9.1623 9.1870 9.2075 9.2041 8.3066 8.5059 8.4604 7.2119 7.1556 5.8717 5.5528 5.7640 5.9160 5.5394 6.0064 5.9918 5.7908 6.1572 5.5650 6.1384 5.5777 5.6874 5.6952 6.2423 6.2425 6.0651 0.8606 0.8602 0.7881 0.7976 0.8444 0.8456 0.8299 17.0000 17.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0344 -0.0500 -0.2056 -0.1760 -0.1764 -0.1632 -0.1631 -0.1623 -0.1870 -0.2075 -0.2041 -0.3066 -0.5059 -0.4604 -0.2119 -0.1556 0.1283 0.4472 0.2360 0.0840 0.4606 -0.0064 0.0082 0.2092 -0.1572 0.4350 -0.1384 0.4223 0.3126 0.3048 -0.2423 -0.2425 -0.0651 0.1394 0.1398 0.2119 0.2024 0.1556 0.1544 0.1701 1.2777 1.2568 1.0788 1.1306 1.1342 1.1499 1.1498 1.1503 1.1292 1.0875 1.0942 2.1210 2.0072 2.0461 3.1584 3.2202 3.9632 4.3531 3.8399 3.7276 4.4719 3.9615 4.0301 4.1702 4.1202 4.3198 3.5409 4.0640 3.9290 3.9483 3.9582 3.9549 3.8082 1.0081 1.0205 1.0330 1.0017 0.9995 1.0001 0.9835 1.2777 1.2568 1.0788 1.1306 1.1342 1.1499 1.1498 1.1503 1.1292 1.0875 1.0942 2.1210 2.0072 2.0461 3.1584 3.2202 3.9632 4.3531 3.8399 3.7276 4.4719 3.9615 4.0301 4.1702 4.1202 4.3198 3.5409 4.0640 3.9290 3.9483 3.9582 3.9549 3.8082 1.0081 1.0205 1.0330 1.0017 0.9995 1.0001 0.9835 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.1428 1.0821 1.0217 1.0922 1.0999 1.1367 1.1361 1.1384 1.1158 1.0384 1.0555 1.0909 0.9243 1.9022 1.8621 0.8990 1.2452 0.9128 1.0741 1.1945 0.9331 0.9636 0.9701 0.9662 1.3584 1.3682 1.3798 1.4178 1.3969 1.4384 0.9477 0.9111 1.3245 1.3150 1.4594 1.4624 1.3820 0.9827 1.3756 0.9831 0.9665 0 21 1 22 2 16 3 17 4 17 5 20 6 20 7 20 8 23 9 28 10 29 11 17 11 18 12 25 13 27 14 19 14 25 14 35 15 25 15 27 15 36 16 17 16 20 16 33 18 21 18 22 19 23 19 24 21 23 22 24 24 34 26 27 26 28 26 29 28 30 29 31 30 32 30 37 31 32 31 38 32 39 -0.020413831 -2806.534231742999 -54.15841 50.54890 -3.60950 2.75448 -1.83816 0.91632 -2.83373 1.84438 -0.98934 3.85317 9.79399