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 O O O O N N N 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 H 1 2 2 2 2 3 3 3 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 5 369.67399999999975 AuxInfo=1/0/N:18,16,17,14,10,11,19,20,21,22,26,15,9,12,25,27,13,23,24,1,8,7,6,5,3,4,2/E:(5,6)(7,8)(9,10)/CRV:2.3,3.3,4.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,24.1/rA:47nClOOOO1NN2N2CCCC3C3C3C3C3C3CCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;;s9;s9s10;s9;s2s12;s12;s13;s14;s15s16;s15;s6;s6;s3s19;s3s20;s2s7;s4s5s6;s4s23;s25;s1s8s26;s9;s10;s10;s11;s11;s14;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;s21;s22;s22;s26;/rC:-5.3865,.2956,.8379;.137,-.4439,-.2134;3.9156,2.4168,-.1624;-.669,2.0685,.3381;-.3555,2.0129,-1.8864;1.1861,2.989,-.5168;-1.9829,-1.2709,.0717;-3.2662,-1.0803,.3206;1.4958,-1.6017,1.9486;2.8354,-1.5735,2.6401;1.7171,-2.3638,3.2254;1.3443,-2.3025,.6485;.6396,-1.7239,-.4035;1.9227,-3.5504,.4103;.4916,-2.3197,-1.6543;1.7878,-4.1756,-.8159;1.0809,-3.564,-1.841;-.2649,-1.6518,-2.7615;2.1424,3.2578,-1.5821;1.7953,3.0829,.8048;3.3256,2.3159,-1.4411;2.9914,2.1485,.869;-1.1597,-.2618,.0351;.0611,2.3254,-.7953;-1.572,1.0661,.2731;-2.8934,1.2722,.5249;-3.7001,.1284,.532;.9122,-.6975,2.0584;3.6499,-2.1109,2.1696;3.1296,-.6501,3.1233;1.2271,-1.9851,4.1134;1.7671,-3.4444,3.1763;2.488,-4.0423,1.1922;2.2447,-5.1432,-.9785;.9856,-4.0551,-2.8016;.0191,-.6067,-2.8865;-1.3419,-1.6774,-2.5836;-.0816,-2.1592,-3.7075;1.6761,3.1389,-2.557;2.469,4.297,-1.4941;2.1131,4.1173,.9577;1.0881,2.8392,1.5922;2.9972,1.2852,-1.6373;4.0927,2.5697,-2.1745;2.6428,1.1073,.8166;3.5135,2.2794,1.8184;-3.2886,2.2599,.7202; 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 1545 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 204 Dim 1128 ENuc 2759.4757408783 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 3.666e-06 Time for diagonalization 0.449 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.211 sec Total time needed 0.665 sec 17 8 8 8 8 7 7 7 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 1 369.67399999999975 AuxInfo=1/0/N:18,16,17,14,10,11,19,20,21,22,26,15,9,12,25,27,13,23,24,1,8,7,6,5,3,4,2/E:(5,6)(7,8)(9,10)/CRV:2.3,3.3,4.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,24.1/rA:47nClOOOO1NN2N2CCCC3C3C3C3C3C3CCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;;s9;s9s10;s9;s2s12;s12;s13;s14;s15s16;s15;s6;s6;s3s19;s3s20;s2s7;s4s5s6;s4s23;s25;s1s8s26;s9;s10;s10;s11;s11;s14;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;s21;s22;s22;s26;/rC:-5.3865,.2956,.8379;.137,-.4439,-.2134;3.9156,2.4168,-.1624;-.669,2.0685,.3381;-.3555,2.0129,-1.8864;1.1861,2.989,-.5168;-1.9829,-1.2709,.0717;-3.2662,-1.0803,.3206;1.4958,-1.6017,1.9486;2.8354,-1.5735,2.6401;1.7171,-2.3638,3.2254;1.3443,-2.3025,.6485;.6396,-1.7239,-.4035;1.9227,-3.5504,.4103;.4916,-2.3197,-1.6543;1.7878,-4.1756,-.8159;1.0809,-3.564,-1.841;-.2649,-1.6518,-2.7615;2.1424,3.2578,-1.5821;1.7953,3.0829,.8048;3.3256,2.3159,-1.4411;2.9914,2.1485,.869;-1.1597,-.2618,.0351;.0611,2.3254,-.7953;-1.572,1.0661,.2731;-2.8934,1.2722,.5249;-3.7001,.1284,.532;.9122,-.6975,2.0584;3.6499,-2.1109,2.1696;3.1296,-.6501,3.1233;1.2271,-1.9851,4.1134;1.7671,-3.4444,3.1763;2.488,-4.0423,1.1922;2.2447,-5.1432,-.9785;.9856,-4.0551,-2.8016;.0191,-.6067,-2.8865;-1.3419,-1.6774,-2.5836;-.0816,-2.1592,-3.7075;1.6761,3.1389,-2.557;2.469,4.297,-1.4941;2.1131,4.1173,.9577;1.0881,2.8392,1.5922;2.9972,1.2852,-1.6373;4.0927,2.5697,-2.1745;2.6428,1.1073,.8166;3.5135,2.2794,1.8184;-3.2886,2.2599,.7202; 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 "1-OCTANOL" 369.67399999999975 AuxInfo=1/0/N:18,16,17,14,10,11,19,20,21,22,26,15,9,12,25,27,13,23,24,1,8,7,6,5,3,4,2/E:(5,6)(7,8)(9,10)/CRV:2.3,3.3,4.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,24.1/rA:47nClOOOO1NN2N2CCCC3C3C3C3C3C3CCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;;s9;s9s10;s9;s2s12;s12;s13;s14;s15s16;s15;s6;s6;s3s19;s3s20;s2s7;s4s5s6;s4s23;s25;s1s8s26;s9;s10;s10;s11;s11;s14;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;s21;s22;s22;s26;/rC:-5.3865,.2956,.8379;.137,-.4439,-.2134;3.9156,2.4168,-.1624;-.669,2.0685,.3381;-.3555,2.0129,-1.8864;1.1861,2.989,-.5168;-1.9829,-1.2709,.0717;-3.2662,-1.0803,.3206;1.4958,-1.6017,1.9486;2.8354,-1.5735,2.6401;1.7171,-2.3638,3.2254;1.3443,-2.3025,.6485;.6396,-1.7239,-.4035;1.9227,-3.5504,.4103;.4916,-2.3197,-1.6543;1.7878,-4.1756,-.8159;1.0809,-3.564,-1.841;-.2649,-1.6518,-2.7615;2.1424,3.2578,-1.5821;1.7953,3.0829,.8048;3.3256,2.3159,-1.4411;2.9914,2.1485,.869;-1.1597,-.2618,.0351;.0611,2.3254,-.7953;-1.572,1.0661,.2731;-2.8934,1.2722,.5249;-3.7001,.1284,.532;.9122,-.6975,2.0584;3.6499,-2.1109,2.1696;3.1296,-.6501,3.1233;1.2271,-1.9851,4.1134;1.7671,-3.4444,3.1763;2.488,-4.0423,1.1922;2.2447,-5.1432,-.9785;.9856,-4.0551,-2.8016;.0191,-.6067,-2.8865;-1.3419,-1.6774,-2.5836;-.0816,-2.1592,-3.7075;1.6761,3.1389,-2.557;2.469,4.297,-1.4941;2.1131,4.1173,.9577;1.0881,2.8392,1.5922;2.9972,1.2852,-1.6373;4.0927,2.5697,-2.1745;2.6428,1.1073,.8166;3.5135,2.2794,1.8184;-3.2886,2.2599,.7202; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2688 GEPOL Volume 2615.3904 GEPOL Surface-area 1455.3594 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1661.50466332 2759.47574088 -4420.98040420 -7759.28661253 3338.30620833 -0.03531011 -3317.28546610 1655.78080278 2.00345690 102.000369906539 102.000369906539 204.000739813079 -135.697370553588 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.5934 -525.3683 -525.1101 -523.6499 -523.0083 -393.8404 -393.7135 -393.6927 -284.2206 -282.9667 -282.6535 -282.5847 -281.4038 -280.8891 -280.8726 -280.8658 -280.6173 -280.5520 -280.1841 -280.0903 -279.9495 -279.6661 -279.6428 -279.6210 -279.6009 -279.5914 -279.3145 -260.8709 -199.7089 -199.4704 -199.4581 -34.5704 -33.6865 -31.8702 -31.7534 -31.5704 -29.3787 -27.8126 -27.2222 -26.5218 -26.1012 -25.2425 -24.5033 -24.3308 -23.8356 -23.4814 -22.2150 -21.7771 -21.4491 -21.0393 -20.4324 -20.1117 -19.7079 -19.3291 -19.2963 -18.3335 -18.2370 -18.0014 -17.7627 -17.0084 -16.7430 -16.3321 -16.2455 -16.0888 -15.9304 -15.7563 -15.5823 -15.4762 -15.3674 -15.3045 -15.1505 -14.9121 -14.6447 -14.5541 -14.1151 -14.0393 -13.8877 -13.8444 -13.5377 -13.2269 -12.9388 -12.9199 -12.6674 -12.5801 -12.4405 -12.3938 -12.3189 -12.0233 -11.8945 -11.6935 -11.6287 -11.5195 -11.1377 -11.0517 -10.7155 -10.6063 -10.4707 -9.9006 -9.5154 -9.1245 -8.9665 -8.6581 0.3328 1.2123 1.6677 1.8192 2.8924 3.0226 3.2074 3.5117 3.8281 3.8907 3.9704 4.3664 4.4239 4.4965 4.5818 4.7499 4.8019 4.8756 5.1234 5.1848 5.3396 5.3731 5.5134 5.6240 5.7690 5.7977 5.9630 5.9907 6.1064 6.2112 6.3241 6.4273 6.4775 6.6533 6.7675 6.8652 6.9509 7.0799 7.1611 7.1964 7.2954 7.6095 7.7101 7.8491 7.9522 7.9993 8.1328 8.1913 8.3028 8.3956 8.4526 8.6417 8.7621 8.9604 9.1286 9.1780 9.2207 9.3835 9.5530 9.6609 9.8000 9.9558 9.9953 10.0488 10.2025 10.2654 10.4641 10.5454 10.6187 10.6736 10.8277 10.9477 11.0395 11.2240 11.2632 11.4712 11.5026 11.6204 11.6304 11.6847 11.7915 11.8714 11.9181 12.0541 12.0947 12.1525 12.2739 12.3434 12.5641 12.6309 12.7809 12.8877 12.9710 13.0784 13.1517 13.1878 13.3830 13.4626 13.5418 13.5833 13.6734 13.8378 13.8606 13.9587 13.9760 14.0819 14.1497 14.1821 14.2809 14.5091 14.6377 14.7234 14.7723 14.9489 15.0247 15.1419 15.2478 15.3228 15.4583 15.5623 15.6395 15.7017 15.8102 15.9277 16.1017 16.1904 16.3557 16.4844 16.6250 16.6626 16.8368 16.8643 16.9872 17.0082 17.1373 17.2135 17.4008 17.4313 17.5595 17.6830 17.8395 17.9486 18.2303 18.4006 18.4997 18.7103 18.7338 18.8771 18.9014 18.9932 19.2783 19.4739 19.4871 19.6553 19.8950 20.0588 20.1222 20.2262 20.2997 20.5308 20.7031 20.8428 20.9953 21.1072 21.3036 21.5151 21.6020 21.7810 21.9314 21.9872 22.1414 22.3005 22.3174 22.4145 22.5809 22.7488 22.8219 22.9746 23.0426 23.2379 23.2517 23.3750 23.5882 23.8182 23.9039 24.0749 24.1587 24.5611 24.6551 24.6969 24.9315 24.9860 25.2390 25.4351 25.5370 25.5996 25.7383 26.0105 26.2711 26.3761 26.4839 26.6446 26.7639 26.9281 27.0016 27.3137 27.3859 27.3921 27.4706 27.6510 27.8770 28.0452 28.1855 28.3461 28.5694 28.7157 28.8175 28.9334 29.0311 29.1437 29.3182 29.5342 29.5810 29.6738 29.7171 29.8051 29.9652 30.0389 30.2617 30.3647 30.5630 30.7808 30.8909 30.9163 31.1030 31.2841 31.3250 31.6397 31.8592 32.0006 32.0957 32.2186 32.2664 32.4060 32.4736 32.5181 32.7072 32.7803 32.8581 33.1340 33.2845 33.4625 33.7133 33.9254 34.0024 34.2025 34.2434 34.4086 34.4346 34.6010 34.6525 34.7666 34.9835 35.2169 35.3035 35.4170 35.5440 35.7635 35.9745 36.0212 36.2232 36.3411 36.4431 36.5707 36.7638 36.9724 37.0528 37.1715 37.2737 37.4617 37.7215 37.8385 37.9706 38.2944 38.4078 38.4899 38.5953 38.7613 38.8513 38.9966 39.2918 39.3790 39.8036 39.8589 40.0403 40.1149 40.2587 40.3075 40.4646 40.7528 40.7658 40.8493 40.9702 41.1424 41.2369 41.4472 41.5567 41.8871 41.9076 42.0678 42.1060 42.3098 42.4245 42.7938 42.8563 42.9542 43.0944 43.1884 43.3261 43.4063 43.5349 43.6269 43.7942 44.0537 44.1789 44.2870 44.3882 44.5108 44.6843 44.8595 44.9340 45.1440 45.3550 45.4265 45.5266 45.9050 45.9312 46.0849 46.3610 46.4880 46.5351 46.7203 46.7706 46.9914 47.1402 47.2362 47.3739 47.4537 47.6832 47.7672 48.0813 48.1540 48.3676 48.4190 48.6183 48.8170 49.1881 49.2043 49.3328 49.4371 49.5017 49.6304 49.8960 49.9916 50.4544 50.6914 50.7641 50.8386 50.9585 51.2724 51.4984 51.6024 51.6973 51.7611 51.9936 52.2155 52.4863 52.7182 52.9233 53.1175 53.3293 53.6979 54.0219 54.0922 54.4568 54.5194 54.8821 55.0566 55.2765 55.7235 56.0187 56.0945 56.2176 56.4667 56.8481 56.9087 57.1883 57.3430 57.5425 57.7736 58.0511 58.0660 58.3502 58.5043 58.6545 58.8502 58.9418 59.1900 59.2544 59.3846 59.7320 59.8134 59.8592 60.0359 60.4360 60.7806 61.0083 61.2610 61.6240 61.9212 62.0140 62.3042 62.5026 62.6607 62.8710 63.0523 63.3849 63.4792 63.5902 63.6606 63.7480 64.0510 64.2393 64.4825 64.7584 64.8597 64.9951 65.4882 65.5310 65.7239 65.9700 66.2018 66.2345 66.4920 66.7952 66.9713 67.1991 67.3849 67.4494 67.7366 67.8695 68.0593 68.3849 68.5866 68.9008 69.1374 69.2169 69.4027 69.4989 70.1012 70.4233 70.6271 71.0319 71.4093 71.5313 71.8875 72.1148 72.4645 72.6809 72.7470 73.1256 73.3280 73.5973 73.8057 73.8634 74.0934 74.3921 74.4339 74.7798 74.9688 75.1604 75.5379 75.6369 75.8220 76.1002 76.2883 76.5093 76.6810 76.7967 76.8966 76.9752 77.2972 77.3095 77.4929 77.9476 78.0439 78.1883 78.2879 78.5843 78.8921 79.1019 79.1151 79.2397 79.4724 79.5670 79.7537 79.8421 80.0861 80.2218 80.2480 80.5056 80.6570 80.8074 80.9826 81.1256 81.1504 81.2138 81.6962 81.7921 81.7974 81.9861 82.1949 82.2458 82.3739 82.7711 82.9061 83.0874 83.1934 83.2749 83.4112 83.4871 83.7182 83.8236 83.9870 83.9994 84.1235 84.1900 84.4745 84.6295 84.7791 84.9204 85.1086 85.2173 85.3689 85.4455 85.6290 85.7227 85.8186 85.8830 86.0775 86.1203 86.3328 86.3760 86.4962 86.6766 86.8661 86.8959 87.0539 87.1040 87.1969 87.5584 87.6751 87.8922 88.0277 88.0461 88.0940 88.2341 88.4207 88.4302 88.4976 88.7070 88.8710 88.9753 89.0315 89.2124 89.2942 89.3443 89.3696 89.7224 89.8770 89.9424 90.1155 90.2750 90.3539 90.4450 90.6215 90.7226 90.7801 91.0489 91.0813 91.2155 91.3819 91.5873 91.6183 91.8868 92.0192 92.2657 92.4068 92.6128 92.7124 92.8442 92.8848 93.0506 93.1831 93.3288 93.4394 93.4722 93.6319 93.7970 94.0671 94.0967 94.4797 94.6688 94.7387 94.8206 95.1548 95.2415 95.2747 95.4228 95.5950 96.0465 96.0817 96.1308 96.3226 96.4949 96.5748 96.6144 96.8850 97.0582 97.2157 97.3525 97.5715 97.8496 98.0089 98.0507 98.1074 98.2016 98.3363 98.5381 98.6336 98.7804 99.0061 99.0880 99.2728 99.3949 99.7188 99.8569 100.0120 100.0784 100.2959 100.3298 100.5462 100.7743 100.9542 100.9727 101.1407 101.2110 101.3308 101.6658 101.7257 101.9230 102.1013 102.2407 102.3198 102.5630 102.6555 102.7360 102.9023 103.0095 103.2153 103.3896 103.4610 103.6917 103.9598 104.1008 104.3867 104.4561 104.6353 104.7110 105.0687 105.3698 105.4264 105.5386 105.6588 105.7396 106.0758 106.1646 106.4723 106.7076 106.7963 106.9791 107.0782 107.1433 107.2976 107.5205 107.6629 107.8948 107.9877 108.2222 108.3072 108.4914 108.8796 108.9974 109.0187 109.1277 109.4401 109.7438 109.9009 109.9854 110.1698 110.4052 110.5942 110.7514 110.8818 110.9917 111.0852 111.2367 111.3766 111.5678 111.7641 111.8818 111.9592 112.1623 112.3904 112.6730 112.8837 113.1273 113.3630 113.5857 113.7139 113.7861 113.8240 113.9579 114.1118 114.3456 114.4480 114.7017 114.7950 114.9229 115.1173 115.1479 115.3263 115.5773 115.6604 115.6823 115.8731 116.2357 116.3062 116.4541 116.5812 117.0631 117.1429 117.3029 117.3965 117.5294 117.6488 117.8591 118.0893 118.1726 118.3419 118.5716 118.7250 118.9421 118.9888 119.0517 119.1674 119.3280 119.5981 119.7801 119.9061 119.9786 120.1450 120.3237 120.4304 120.5081 120.6383 120.8098 120.8569 121.1033 121.6169 121.7062 122.0992 122.1946 122.7708 122.8542 123.1790 123.4200 123.5791 123.7809 124.0637 124.2142 124.4385 124.7855 125.0100 125.1601 125.3318 125.5893 126.0032 126.2193 126.4944 126.7625 126.8916 127.5090 127.6986 128.2342 128.6672 128.9674 129.1942 129.4260 129.6197 129.7109 130.0594 130.1076 130.3044 130.3506 130.6868 130.8146 130.9026 131.0428 131.2108 131.7200 131.9192 132.2206 132.3551 132.7049 132.8925 133.0581 133.2223 133.5892 133.7516 134.1158 134.4805 134.6139 134.7150 134.8793 134.9750 135.2334 135.5138 136.0449 136.0856 136.3862 136.4032 136.5796 136.8546 137.2068 137.5653 137.7720 138.0381 138.4961 138.5582 138.9219 139.4685 139.5370 139.7240 139.8173 140.0674 140.1810 140.4231 140.5274 140.7384 140.9104 140.9247 141.0931 141.3363 141.4687 141.9891 142.4814 142.7264 143.3592 143.4180 143.7812 143.9448 144.3434 144.4524 144.7326 144.9140 145.1367 145.3778 145.5014 145.8034 145.8901 146.2452 146.4040 146.6120 146.6871 146.9609 147.2968 147.6918 147.9127 147.9934 148.4282 148.7995 148.9817 149.0573 149.2486 149.5955 149.6505 149.9719 150.1130 150.2759 150.4269 150.4776 150.7797 151.0825 151.2969 151.4501 151.6626 151.8889 151.9355 151.9770 152.2909 152.6176 152.9170 153.0358 153.3536 153.5530 153.7545 153.9869 154.1829 154.8292 155.1371 155.3774 155.5874 155.9152 156.2876 156.5807 156.9641 157.2583 157.4430 157.6424 157.7526 157.8583 158.0889 158.5278 158.7828 159.0157 159.2396 159.7150 160.1436 160.5887 162.0630 162.4337 162.6301 163.1077 163.6363 164.3559 164.9672 165.3423 166.3097 166.3412 166.6365 166.8282 167.6323 168.5214 169.2481 169.4325 170.2200 171.7141 172.6107 174.1175 175.2632 175.5517 176.8402 177.4527 177.9227 178.8054 180.8702 181.9841 182.5999 183.6864 185.7617 186.5944 186.8772 187.4489 189.3677 190.7347 191.1665 192.8600 193.4877 194.0357 194.7960 195.9627 196.7046 198.3215 199.6396 202.1414 202.4572 204.5734 204.5983 205.6327 209.4637 221.3303 222.5869 223.1253 226.7060 228.9571 294.5928 296.5457 311.8343 620.4336 620.5581 626.3833 632.6125 633.1441 635.1496 635.9325 636.5464 636.9309 639.3769 640.9625 641.4872 641.8816 642.8559 644.8749 645.5957 646.9770 648.5183 657.6850 709.3684 880.7546 887.8339 902.7572 1199.7778 1208.3454 1211.7101 1217.7692 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 O O O O N N N 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 H -0.055136 -0.294080 -0.382450 -0.329833 -0.478665 -0.120250 -0.127126 -0.240658 -0.061365 -0.161952 -0.157734 0.074883 0.093341 -0.212900 0.020465 -0.147510 -0.176978 -0.233687 -0.064755 -0.069387 0.027262 0.038046 0.309049 0.434982 0.171883 -0.145191 0.157917 0.096300 0.088098 0.093419 0.095151 0.086001 0.136085 0.154313 0.137340 0.104995 0.104587 0.100502 0.101552 0.105749 0.106590 0.107631 0.083879 0.105468 0.064288 0.108574 0.151307 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 O O O O N N N 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 H 17.0551 8.2941 8.3825 8.3298 8.4787 7.1203 7.1271 7.2407 6.0614 6.1620 6.1577 5.9251 5.9067 6.2129 5.9795 6.1475 6.1770 6.2337 6.0648 6.0694 5.9727 5.9620 5.6910 5.5650 5.8281 6.1452 5.8421 0.9037 0.9119 0.9066 0.9048 0.9140 0.8639 0.8457 0.8627 0.8950 0.8954 0.8995 0.8984 0.8943 0.8934 0.8924 0.9161 0.8945 0.9357 0.8914 0.8487 17.0000 8.0000 8.0000 8.0000 8.0000 7.0000 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 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 1.0000 -0.0551 -0.2941 -0.3825 -0.3298 -0.4787 -0.1203 -0.1271 -0.2407 -0.0614 -0.1620 -0.1577 0.0749 0.0933 -0.2129 0.0205 -0.1475 -0.1770 -0.2337 -0.0648 -0.0694 0.0273 0.0380 0.3090 0.4350 0.1719 -0.1452 0.1579 0.0963 0.0881 0.0934 0.0952 0.0860 0.1361 0.1543 0.1373 0.1050 0.1046 0.1005 0.1016 0.1057 0.1066 0.1076 0.0839 0.1055 0.0643 0.1086 0.1513 1.2460 2.0849 1.9441 2.0810 2.0303 3.1820 2.8984 2.9527 3.7244 3.8962 3.9234 3.5984 3.8189 3.9066 3.7994 3.9332 3.9255 3.8812 3.8545 3.8580 3.9339 3.9666 4.0288 4.3193 3.9149 4.0457 4.1889 1.0140 1.0189 1.0189 1.0178 1.0207 1.0062 0.9921 1.0029 1.0093 1.0031 1.0057 1.0343 1.0079 1.0079 1.0250 1.0026 0.9984 1.0189 0.9995 1.0066 1.2460 2.0849 1.9441 2.0810 2.0303 3.1820 2.8984 2.9527 3.7244 3.8962 3.9234 3.5984 3.8189 3.9066 3.7994 3.9332 3.9255 3.8812 3.8545 3.8580 3.9339 3.9666 4.0288 4.3193 3.9149 4.0457 4.1889 1.0140 1.0189 1.0189 1.0178 1.0207 1.0062 0.9921 1.0029 1.0093 1.0031 1.0057 1.0343 1.0079 1.0079 1.0250 1.0026 0.9984 1.0189 0.9995 1.0066 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.1299 0.8040 1.0624 0.9575 0.9732 1.0176 0.9377 1.8605 0.8897 0.8863 1.3646 1.1162 1.5797 1.6421 0.9052 0.9358 0.8784 1.0240 0.9493 1.0135 1.0079 1.0050 1.0165 1.4097 1.2846 1.4353 1.4640 0.9885 1.3841 0.9368 1.4252 0.9859 0.9861 0.9964 0.9721 0.9887 0.9493 0.9907 0.9880 0.9500 0.9925 0.9892 0.9910 0.9879 1.0073 0.9758 1.2189 1.5892 1.2864 0.9361 0 26 1 12 1 22 2 20 2 21 3 23 3 24 4 23 5 18 5 19 5 23 6 7 6 22 7 26 8 9 8 10 8 11 8 27 9 10 9 28 9 29 10 30 10 31 11 12 11 13 12 14 13 15 13 32 14 16 14 17 15 16 15 33 16 34 17 35 17 36 17 37 18 20 18 38 18 39 19 21 19 40 19 41 20 42 20 43 21 44 21 45 22 24 24 25 25 26 25 46 -0.026623000 -1661.531286320567 37.47878 -35.61055 1.86823 -2.79686 4.57270 1.77584 -0.54043 1.55081 1.01039 2.76854 7.03706