Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 Cl F F F F F F F F O 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 H H 1 2 2 2 2 2 2 2 2 3 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 6 6 483.6331255999998 AuxInfo=1/0/N:31,29,30,22,20,21,17,19,27,28,16,24,26,23,25,18,32,1,5,6,4,2,3,7,8,9,14,15,13,12,10,11/E:(2,3)(9,10)(19,20)(22,23)(24,25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,29.1,30.1/rA:41nClFFFFFFFFOOO1O1NNC3C3CC3C3C3C3CC3C3C3C3C3C3C3C3CHHHHHHHHH/rB:;;;;;;;;;;;;;;s10;s14;s2s3s10;s1s16;s16;s17s19;s17s20;s4s11s18;;s12s14s15;s13s15s24;s5s24;s6s24;s27;s28;s29s30;s7s8s9s11;s20;s21;s22;s23;s14;s15;s29;s30;s31;/rC:2.0082,-1.9238,1.3658;3.5602,1.5265,1.2205;4.3758,1.9184,-.738;5.2108,-.5711,1.5832;-6.5751,2.1767,.9005;-6.5157,-2.3052,-.3926;7.8471,-1.1514,.3662;7.9225,.6231,-.8266;7.4744,-1.2649,-1.7505;3.3215,-.0112,-.3794;5.9536,-.372,-.5256;-2.8177,1.819,-1.8294;-4.3789,-.7952,.9641;-2.2214,.3522,-.1808;-4.4518,.7791,-.6827;1.9534,.1665,-.3319;-.8292,.3519,-.2778;4.1291,.9369,.1557;1.2072,-.7116,.4416;1.3036,1.144,-1.0604;-.1707,-.6324,.4602;-.078,1.251,-1.0326;5.4604,.3141,.5834;-6.502,-.0597,.2385;-3.0978,1.0304,-.948;-5.012,-.0662,.2239;-7.2403,1.0596,.5923;-7.2096,-1.2193,-.0439;-8.6174,1.0496,.6584;-8.5855,-1.2772,.0001;-9.2808,-.1299,.3554;7.2875,-.5324,-.6693;1.8668,1.8349,-1.673;-.7389,-1.3363,1.055;-.5427,2.0375,-1.6024;6.1382,1.0868,.9567;-2.624,-.3032,.4837;-5.0777,1.3101,-1.2762;-9.1577,1.9414,.9453;-9.1018,-2.1966,-.239;-10.3605,-.1572,.3989; 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 1669 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 246 Dim 1129 ENuc 3383.4063432472 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 6.814e-06 Time for diagonalization 0.235 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.256 sec Total time needed 0.500 sec 17 9 9 9 9 9 9 9 9 8 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 1 1 483.6331255999998 AuxInfo=1/0/N:31,29,30,22,20,21,17,19,27,28,16,24,26,23,25,18,32,1,5,6,4,2,3,7,8,9,14,15,13,12,10,11/E:(2,3)(9,10)(19,20)(22,23)(24,25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,29.1,30.1/rA:41nClFFFFFFFFOOO1O1NNC3C3CC3C3C3C3CC3C3C3C3C3C3C3C3CHHHHHHHHH/rB:;;;;;;;;;;;;;;s10;s14;s2s3s10;s1s16;s16;s17s19;s17s20;s4s11s18;;s12s14s15;s13s15s24;s5s24;s6s24;s27;s28;s29s30;s7s8s9s11;s20;s21;s22;s23;s14;s15;s29;s30;s31;/rC:2.0082,-1.9238,1.3657;3.5602,1.5265,1.2205;4.3758,1.9184,-.738;5.2108,-.5711,1.5832;-6.5751,2.1767,.9005;-6.5157,-2.3052,-.3926;7.8471,-1.1514,.3662;7.9225,.6231,-.8266;7.4744,-1.2649,-1.7505;3.3215,-.0112,-.3794;5.9536,-.372,-.5256;-2.8177,1.819,-1.8294;-4.3789,-.7952,.9641;-2.2214,.3522,-.1808;-4.4518,.7791,-.6827;1.9534,.1665,-.3319;-.8292,.3519,-.2778;4.1291,.9369,.1557;1.2072,-.7116,.4416;1.3036,1.144,-1.0604;-.1707,-.6324,.4602;-.078,1.251,-1.0326;5.4604,.3141,.5834;-6.502,-.0597,.2385;-3.0978,1.0304,-.948;-5.012,-.0662,.2239;-7.2403,1.0596,.5923;-7.2096,-1.2193,-.0439;-8.6174,1.0496,.6585;-8.5855,-1.2772,.0001;-9.2808,-.1299,.3554;7.2875,-.5324,-.6693;1.8668,1.8349,-1.673;-.7389,-1.3363,1.055;-.5427,2.0375,-1.6024;6.1382,1.0868,.9567;-2.624,-.3032,.4837;-5.0777,1.3101,-1.2762;-9.1577,1.9414,.9453;-9.1018,-2.1966,-.239;-10.3605,-.1572,.3989; 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" 483.6331255999998 AuxInfo=1/0/N:31,29,30,22,20,21,17,19,27,28,16,24,26,23,25,18,32,1,5,6,4,2,3,7,8,9,14,15,13,12,10,11/E:(2,3)(9,10)(19,20)(22,23)(24,25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,29.1,30.1/rA:41nClFFFFFFFFOOO1O1NNC3C3CC3C3C3C3CC3C3C3C3C3C3C3C3CHHHHHHHHH/rB:;;;;;;;;;;;;;;s10;s14;s2s3s10;s1s16;s16;s17s19;s17s20;s4s11s18;;s12s14s15;s13s15s24;s5s24;s6s24;s27;s28;s29s30;s7s8s9s11;s20;s21;s22;s23;s14;s15;s29;s30;s31;/rC:2.0082,-1.9238,1.3658;3.5602,1.5265,1.2205;4.3758,1.9184,-.738;5.2108,-.5711,1.5832;-6.5751,2.1767,.9005;-6.5157,-2.3052,-.3926;7.8471,-1.1514,.3662;7.9225,.6231,-.8266;7.4744,-1.2649,-1.7505;3.3215,-.0112,-.3794;5.9536,-.372,-.5256;-2.8177,1.819,-1.8294;-4.3789,-.7952,.9641;-2.2214,.3522,-.1808;-4.4518,.7791,-.6827;1.9534,.1665,-.3319;-.8292,.3519,-.2778;4.1291,.9369,.1557;1.2072,-.7116,.4416;1.3036,1.144,-1.0604;-.1707,-.6324,.4602;-.078,1.251,-1.0326;5.4604,.3141,.5834;-6.502,-.0597,.2385;-3.0978,1.0304,-.948;-5.012,-.0662,.2239;-7.2403,1.0596,.5923;-7.2096,-1.2193,-.0439;-8.6174,1.0496,.6584;-8.5855,-1.2772,.0001;-9.2808,-.1299,.3554;7.2875,-.5324,-.6693;1.8668,1.8349,-1.673;-.7389,-1.3363,1.055;-.5427,2.0375,-1.6024;6.1382,1.0868,.9567;-2.624,-.3032,.4837;-5.0777,1.3101,-1.2762;-9.1577,1.9414,.9453;-9.1018,-2.1966,-.239;-10.3605,-.1572,.3989; 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 2377 GEPOL Volume 2802.7007 GEPOL Surface-area 1552.3375 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.3s -2322.90594523 3383.40634325 -5706.31228848 -9934.83850212 4228.52621364 -0.04162782 -4638.56261499 2315.65666976 2.00313055 122.999951630928 122.999951630928 245.999903261857 -181.037465625149 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4970 -675.9308 -675.8811 -675.8772 -675.6390 -675.4414 -675.2810 -675.2458 -675.1908 -525.7016 -525.2585 -523.6229 -523.0826 -394.1280 -393.7757 -288.3071 -286.3542 -284.4503 -284.0629 -283.8006 -282.7123 -282.6926 -281.9458 -281.8015 -281.5709 -280.7137 -280.3652 -280.2637 -280.2336 -280.0847 -280.0791 -280.0581 -260.7667 -199.6068 -199.3667 -199.3536 -40.1405 -38.7785 -37.4137 -37.3058 -37.2385 -37.2274 -37.1938 -36.7527 -33.8649 -33.4982 -33.1039 -32.4357 -29.5808 -29.0485 -27.8979 -27.4484 -26.3406 -25.5214 -24.8142 -24.1729 -24.0792 -23.6134 -22.7930 -22.1432 -21.6254 -20.9873 -20.7021 -20.5997 -20.3432 -20.2338 -20.1280 -20.0616 -19.4975 -19.1855 -18.9450 -18.8327 -18.6684 -18.3989 -17.8224 -17.7715 -17.5737 -17.2507 -16.7328 -16.5299 -16.4839 -16.4466 -16.3301 -16.2806 -16.1913 -16.0887 -16.0348 -15.8801 -15.7035 -15.5086 -15.3637 -15.3092 -15.2188 -15.1939 -15.1503 -15.0482 -14.8436 -14.6824 -14.6434 -14.5927 -14.5789 -14.4214 -14.1197 -13.8295 -13.6641 -13.5802 -13.2687 -13.2217 -13.0352 -12.9766 -12.8927 -12.6811 -12.5855 -12.0649 -11.4105 -11.3335 -11.1771 -10.9187 -10.6937 -9.8011 -9.4912 -9.4693 -8.7328 0.4598 1.1812 1.2257 1.6342 2.0792 2.8405 3.3414 3.8670 3.9761 4.1162 4.2735 4.3284 4.4773 4.8146 4.9797 4.9944 5.0820 5.1724 5.5199 5.6012 5.7060 5.9009 5.9525 6.1069 6.1543 6.3335 6.4468 6.5261 6.7161 6.7909 6.9428 7.0960 7.2751 7.3623 7.4859 7.6607 7.6873 7.7185 7.7978 7.9971 8.0693 8.2140 8.3445 8.3908 8.4488 8.5688 8.6670 8.6916 8.7467 8.9188 8.9720 8.9964 9.0206 9.2027 9.4699 9.5261 9.6756 9.9339 10.0418 10.0652 10.1837 10.3271 10.3802 10.5998 10.6452 10.7511 10.8751 10.9890 11.0843 11.1488 11.3564 11.3695 11.4477 11.6727 11.7026 11.7991 11.8460 11.8959 11.9290 12.0608 12.0920 12.1995 12.2999 12.3699 12.6684 12.7307 12.8621 13.0470 13.1572 13.3112 13.3443 13.4648 13.5358 13.6245 13.7130 13.8388 13.8776 14.0317 14.1625 14.2698 14.3956 14.5903 14.6216 14.8959 14.9929 15.0914 15.2661 15.2879 15.4367 15.4815 15.6044 15.9075 16.0222 16.1319 16.1990 16.3448 16.3538 16.4366 16.6336 16.8216 16.9851 17.0916 17.3023 17.4613 17.5745 17.5975 17.7463 17.8299 17.9702 17.9992 18.0991 18.1569 18.4221 18.5925 18.7713 19.0292 19.1079 19.1467 19.4875 19.5735 19.6356 19.9221 19.9737 20.2234 20.3088 20.3714 20.4582 20.5781 20.6694 20.8990 20.9294 21.0404 21.2270 21.4060 21.4862 21.6084 21.6818 21.7950 21.9122 22.0440 22.1523 22.2820 22.3917 22.5191 22.5947 22.6766 22.9444 22.9834 23.0489 23.1610 23.2120 23.4086 23.4869 23.5409 23.7516 23.9059 24.1178 24.1825 24.3584 24.4040 24.4732 24.7354 24.7644 24.8831 24.9505 25.1387 25.2044 25.3170 25.4297 25.5600 25.5944 25.9301 26.1433 26.3147 26.4394 26.5385 26.8271 27.0218 27.0396 27.1805 27.4681 27.5206 27.5822 27.7457 27.8897 27.9963 28.0027 28.1929 28.4321 28.4919 28.6423 28.7432 28.8716 28.9422 29.0642 29.0981 29.2277 29.4113 29.7928 29.9151 30.0268 30.2413 30.4536 30.5999 30.7151 30.9325 31.0342 31.0866 31.2674 31.3772 31.6079 31.7940 32.0194 32.1626 32.2584 32.5723 32.6133 32.7642 33.1581 33.4567 33.5967 33.7552 34.1252 34.2185 34.5041 34.6003 34.6705 34.7752 35.0086 35.1710 35.3273 35.6321 35.7409 35.9225 36.1112 36.2340 36.4177 36.5987 36.7285 36.9188 37.0565 37.2669 37.4706 37.6977 37.7442 37.8890 38.1022 38.2913 38.5350 38.7539 38.9353 39.2289 39.3150 39.5045 39.7383 39.8134 39.9510 40.0710 40.2906 40.6176 40.7609 41.0201 41.0229 41.2779 41.4371 41.4845 41.6366 41.7346 42.0506 42.1632 42.3271 42.5006 42.7037 43.0307 43.3707 43.4450 43.6395 43.8951 44.0023 44.3042 44.3994 44.8359 45.0232 45.1364 45.1766 45.3334 45.4474 45.8533 46.0180 46.5035 46.6243 46.8057 46.8970 47.1421 47.3372 47.5321 47.7165 47.8007 48.0046 48.4951 48.5939 48.6280 48.6784 48.9312 49.1477 49.1805 49.3012 49.7141 49.8538 50.1578 50.4842 50.6329 50.9227 50.9794 51.1339 51.4336 51.6357 51.8334 51.9007 52.0868 52.2618 52.5486 52.8628 53.0058 53.0715 53.4322 53.5277 53.8085 53.8687 54.0949 54.2309 54.3917 54.4659 54.6002 54.7900 55.2004 55.4103 55.6115 55.7782 55.8312 56.0555 56.2273 56.3665 56.4867 56.5828 56.9053 57.2598 57.3207 57.4979 57.7657 57.8693 58.0707 58.2455 58.4205 58.4449 58.6942 58.8239 59.3531 59.5440 59.6871 59.9215 60.0174 60.1693 60.2391 60.5325 60.5805 60.8277 61.0913 61.1825 61.2865 61.5454 61.7985 62.4446 62.5961 62.9042 63.0513 63.1674 63.3404 63.6294 63.8074 63.9093 64.1705 64.2548 64.3002 64.6734 64.7669 64.8297 64.9907 65.0758 65.2906 65.5408 65.6664 65.8070 65.8709 66.0302 66.2814 66.6212 66.7124 66.8378 66.8941 67.0850 67.2576 67.4553 67.5396 67.5897 67.7654 67.9369 68.0815 68.1297 68.5370 68.7166 68.9734 69.5046 69.7127 70.0116 70.3988 70.7393 70.8231 70.9808 71.2099 71.3170 71.8011 72.0022 72.6409 72.8672 73.0327 73.1792 73.4486 73.4961 73.5821 74.1324 74.4378 74.7947 74.8877 75.1389 75.3458 75.6758 76.0725 76.1127 76.4277 76.4886 76.6683 76.8334 76.9779 77.1277 77.5990 77.7146 77.8163 78.1250 78.6960 78.7334 78.8264 79.0954 79.3176 79.5121 79.6420 79.7992 79.9481 80.0807 80.1311 80.1945 80.2353 80.4213 80.5156 80.9573 81.0684 81.1197 81.1393 81.2736 81.3826 81.7298 82.0572 82.1572 82.3044 82.4739 82.5505 82.7382 82.8201 83.0226 83.1110 83.1911 83.4007 83.5564 83.5856 83.7319 83.8672 84.1580 84.1665 84.3070 84.5282 84.6375 84.9045 84.9789 85.0700 85.1767 85.2840 85.4280 85.6334 85.8053 86.0303 86.1190 86.2554 86.5327 86.7477 86.8282 86.9473 87.2047 87.2987 87.3569 87.4819 87.5640 87.8556 87.8707 88.0357 88.0891 88.3650 88.5148 88.5738 88.6258 88.7508 88.8475 88.9817 89.0617 89.1347 89.2304 89.2840 89.4365 89.8781 90.0223 90.1946 90.2780 90.4289 90.7023 90.7117 90.8051 90.8739 91.0664 91.2280 91.5106 91.5449 91.6898 91.7511 91.9043 92.0743 92.4165 92.5131 92.7825 93.0231 93.2275 93.3007 93.4634 93.6111 93.7351 93.8490 93.9159 94.0767 94.5793 94.6277 94.7112 94.7922 94.8523 95.1769 95.3834 95.5601 95.8253 95.9864 96.0350 96.1232 96.3086 96.3594 96.8107 96.8940 96.9335 97.1848 97.2612 97.4525 97.6158 97.8173 97.9067 97.9560 98.0121 98.1486 98.7584 98.8321 98.9862 99.1156 99.2523 99.6550 99.8862 100.1216 100.2500 100.4819 100.7318 100.8486 101.0124 101.1978 101.5595 101.7674 101.8575 102.1637 102.2511 102.4163 102.5930 102.7750 102.9847 103.1896 103.8018 103.8200 104.0411 104.0993 104.4819 104.6474 104.8707 105.1647 105.2638 105.3928 105.4609 105.5914 105.6593 105.8364 106.0087 106.1866 106.3778 106.4480 106.5639 106.6190 107.0006 107.0827 107.1682 107.5216 107.6313 107.8943 108.0891 108.1898 108.5154 108.7331 108.8105 108.8377 108.9513 109.1050 109.3321 109.7418 110.0172 110.4728 110.6430 110.8408 111.0885 111.1413 111.4962 111.7156 111.7377 112.0146 112.2731 112.3250 112.6105 112.7622 112.9575 113.0197 113.3175 113.5483 113.6456 113.9723 114.1722 114.5046 114.7235 115.0278 115.1866 115.2915 115.7785 115.9143 116.1021 116.1851 116.4024 116.4879 116.7488 117.0985 117.1816 117.2725 117.4006 117.4692 117.5567 117.8172 118.0192 118.3229 118.7478 118.8739 118.9820 119.4054 119.6136 119.7638 119.8925 120.6582 120.8363 121.1268 121.4063 121.6157 122.1524 122.3139 122.4667 122.6777 123.3949 123.7190 123.9111 124.3052 125.1730 125.2305 125.7671 126.1874 126.2391 126.3236 126.9151 127.5061 127.8292 128.1895 128.9608 129.0776 129.3462 129.5420 129.7905 130.1016 130.3220 130.5468 130.7685 130.7766 131.0547 131.2678 131.5131 131.9715 132.3976 132.5708 132.7437 132.8954 133.0777 133.7402 133.9753 134.3836 134.8623 135.0309 135.1632 135.4966 135.5933 135.8427 136.7063 137.2530 137.5701 137.6232 138.6527 139.5499 139.8425 140.3140 140.4657 140.8998 141.6200 141.6980 141.9053 142.4630 143.2145 143.4383 143.5166 144.2260 144.5697 144.7251 144.9096 145.3788 145.5975 145.8474 145.9497 146.3754 146.6831 147.2674 147.3601 147.9368 148.3875 148.7427 149.0364 149.4741 149.4988 149.8264 150.6108 150.7222 150.9609 151.1112 151.4616 151.7060 152.1832 152.3962 152.5881 153.1453 153.2149 153.7659 153.9417 154.1895 154.8367 155.6628 156.7140 157.7975 158.1898 158.2903 159.3583 159.5122 160.2553 161.0890 161.7470 162.3677 162.5191 162.9392 163.6814 164.1875 164.9776 166.4198 166.5831 167.1960 168.7549 169.2461 169.8118 171.0582 171.2229 172.4433 173.1894 173.9212 175.5352 175.8931 176.4573 176.9751 177.3805 177.5132 178.3407 179.0606 181.1939 182.3693 183.9020 184.3955 184.5867 185.8239 186.1266 186.3838 186.9550 187.8067 187.8912 187.9989 188.0947 188.1490 188.1902 188.2704 188.2878 188.5305 188.6620 188.7992 188.9558 189.0699 189.1182 189.1340 189.1915 189.3035 189.3926 189.3988 189.5392 189.6578 189.8567 190.3124 191.2715 192.0629 192.3203 192.3569 192.6759 192.6918 192.7350 193.6190 193.7097 194.1890 194.3843 194.6488 194.8717 195.4546 195.5467 195.6149 195.7506 196.2604 196.3269 197.0102 198.0373 198.4833 199.2028 199.4175 199.6743 200.4901 200.7123 200.9584 201.8128 202.5209 203.0317 203.4587 204.0230 204.5467 205.0329 205.0909 205.5479 206.4336 206.8885 207.4115 207.4731 208.5001 209.4909 209.9545 210.1797 212.6962 221.8903 223.3906 223.7882 227.8546 227.8786 227.9536 228.1895 228.7709 229.5266 229.7301 230.2432 230.4694 231.0555 232.0697 232.1930 232.5057 233.2577 234.0576 234.8552 235.1437 235.4166 238.8916 240.0567 240.7012 240.8074 241.1981 241.5760 243.0103 243.3728 243.7549 244.7946 245.1635 245.8907 246.3096 246.4207 246.6448 247.3329 247.3856 247.4330 248.1120 248.2122 248.7460 249.0610 249.5159 249.9278 295.0771 298.3340 312.9151 611.5596 614.2104 624.4577 628.6663 629.5598 630.3708 631.2690 631.4705 632.6370 633.5159 633.9579 634.7455 636.3329 643.1783 647.7923 652.3873 654.4221 715.5161 898.8172 905.3484 1197.1967 1198.5851 1205.9631 1212.2602 1554.0169 1554.5066 1559.1268 1560.8829 1562.2686 1562.6116 1563.8295 1564.4768 -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 Cl F F F F F F F F O 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 H H -0.063210 -0.182544 -0.186408 -0.195701 -0.208304 -0.205134 -0.164873 -0.164469 -0.157544 -0.312741 -0.251858 -0.512634 -0.461796 -0.170448 -0.148436 0.136998 0.187035 0.473832 0.057360 -0.107978 -0.185039 -0.220582 0.218022 -0.127142 0.434094 0.405611 0.316842 0.305257 -0.245652 -0.246982 -0.065420 0.574344 0.153119 0.130263 0.157656 0.149706 0.204341 0.199928 0.155238 0.154911 0.170336 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 Cl F F F F F F F F O 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 H H 17.0632 9.1825 9.1864 9.1957 9.2083 9.2051 9.1649 9.1645 9.1575 8.3127 8.2519 8.5126 8.4618 7.1704 7.1484 5.8630 5.8130 5.5262 5.9426 6.1080 6.1850 6.2206 5.7820 6.1271 5.5659 5.5944 5.6832 5.6947 6.2457 6.2470 6.0654 5.4257 0.8469 0.8697 0.8423 0.8503 0.7957 0.8001 0.8448 0.8451 0.8297 17.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 8.0000 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 1.0000 1.0000 -0.0632 -0.1825 -0.1864 -0.1957 -0.2083 -0.2051 -0.1649 -0.1645 -0.1575 -0.3127 -0.2519 -0.5126 -0.4618 -0.1704 -0.1484 0.1370 0.1870 0.4738 0.0574 -0.1080 -0.1850 -0.2206 0.2180 -0.1271 0.4341 0.4056 0.3168 0.3053 -0.2457 -0.2470 -0.0654 0.5743 0.1531 0.1303 0.1577 0.1497 0.2043 0.1999 0.1552 0.1549 0.1703 1.2546 1.1201 1.1210 1.0891 1.0863 1.0932 1.1404 1.1413 1.1521 2.1120 2.1191 1.9931 2.0485 3.2504 3.2204 3.8284 3.8594 4.3193 4.0243 4.0438 4.0360 4.0008 4.1003 3.5462 4.3012 4.0667 3.9264 3.9519 3.9602 3.9595 3.8052 4.6434 1.0094 1.0274 1.0274 0.9910 1.0383 1.0034 0.9997 1.0000 0.9833 1.2546 1.1201 1.1210 1.0891 1.0863 1.0932 1.1404 1.1413 1.1521 2.1120 2.1191 1.9931 2.0485 3.2504 3.2204 3.8284 3.8594 4.3193 4.0243 4.0438 4.0360 4.0008 4.1003 3.5462 4.3012 4.0667 3.9264 3.9519 3.9602 3.9595 3.8052 4.6434 1.0094 1.0274 1.0274 0.9910 1.0383 1.0034 0.9997 1.0000 0.9833 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1061 1.0806 1.1019 1.0648 1.0380 1.0524 1.1314 1.1358 1.1712 0.9104 1.1171 0.9877 1.1444 1.8774 1.8647 1.0378 1.2435 0.9156 1.0664 1.2024 0.9327 1.3494 1.4385 1.3781 1.3794 0.9415 1.4593 1.4783 0.9556 0.9546 0.9533 0.9806 0.9007 1.3272 1.3233 1.4592 1.4635 1.3817 0.9831 1.3769 0.9825 0.9665 0 18 1 17 2 17 3 22 4 26 5 27 6 31 7 31 8 31 9 15 9 17 10 22 10 31 11 24 12 25 13 16 13 24 13 36 14 24 14 25 14 37 15 18 15 19 16 20 16 21 17 22 18 20 19 21 19 32 20 33 21 34 22 35 23 25 23 26 23 27 26 28 27 29 28 30 28 38 29 30 29 39 30 40 -0.019144663 -2322.925089895275 -52.05797 48.66803 -3.38994 5.67830 -4.86252 0.81577 -3.08930 3.24134 0.15204 3.49003 8.87095