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:-4.9549,.3122,1.508;-.0079,-.8385,-1.0182;4.0053,3.0238,-.5424;-.5412,1.7234,-.6163;-.2452,2.518,1.4746;1.2232,3.0257,-.1901;-1.9939,-1.5058,-.0895;-3.1391,-1.2258,.4979;1.5963,-1.2631,1.1927;1.9073,-1.5771,2.6213;.5792,-.9889,2.2676;1.3665,-2.3414,.1934;.5193,-2.1129,-.8859;1.9792,-3.5856,.2766;.2435,-3.0641,-1.8572;1.735,-4.5579,-.68;.876,-4.297,-1.7344;-.7123,-2.7782,-2.9743;2.073,3.8532,.6483;1.7938,2.7574,-1.5005;3.4569,3.2307,.7337;3.196,2.1901,-1.3299;-1.1694,-.5508,-.4242;.1361,2.4369,.3371;-1.449,.809,-.1995;-2.6291,1.1086,.4145;-3.4445,.0182,.7384;2.0911,-.3816,.7929;1.927,-2.614,2.9308;2.6311,-.9549,3.1307;.3736,.041,2.5283;-.2814,-1.6438,2.3172;2.6579,-3.789,1.0945;2.2213,-5.5215,-.6062;.684,-5.0621,-2.4763;-.4631,-1.8582,-3.5035;-1.7297,-2.6746,-2.5937;-.7126,-3.5895,-3.7004;2.1393,4.8519,.2049;1.632,3.9524,1.6373;1.1779,2.0589,-2.0593;1.8357,3.6943,-2.0648;4.1355,3.8919,1.2747;3.393,2.2842,1.292;3.6799,2.0938,-2.3029;3.1242,1.183,-.8908;-2.9218,2.1223,.6437; 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 2757.0444948932 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 4.167e-06 Time for diagonalization 0.458 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.208 sec Total time needed 0.673 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:-4.9549,.3122,1.508;-.0079,-.8385,-1.0182;4.0053,3.0238,-.5424;-.5412,1.7234,-.6163;-.2452,2.518,1.4746;1.2232,3.0257,-.1901;-1.9939,-1.5058,-.0895;-3.1391,-1.2258,.4979;1.5963,-1.2631,1.1927;1.9073,-1.5771,2.6213;.5792,-.9889,2.2676;1.3665,-2.3414,.1934;.5193,-2.1129,-.8859;1.9792,-3.5856,.2766;.2435,-3.0641,-1.8572;1.735,-4.5579,-.68;.876,-4.297,-1.7344;-.7123,-2.7782,-2.9743;2.073,3.8532,.6483;1.7938,2.7574,-1.5005;3.4569,3.2307,.7337;3.196,2.1901,-1.3299;-1.1694,-.5508,-.4242;.1361,2.4369,.3371;-1.449,.809,-.1995;-2.6291,1.1086,.4145;-3.4445,.0182,.7384;2.0911,-.3816,.7929;1.927,-2.614,2.9308;2.6311,-.9549,3.1307;.3736,.041,2.5283;-.2814,-1.6438,2.3172;2.6579,-3.789,1.0945;2.2213,-5.5215,-.6062;.684,-5.0621,-2.4763;-.4631,-1.8582,-3.5035;-1.7297,-2.6746,-2.5937;-.7126,-3.5895,-3.7004;2.1393,4.8519,.2049;1.632,3.9524,1.6373;1.1779,2.0589,-2.0593;1.8357,3.6943,-2.0648;4.1355,3.8919,1.2747;3.393,2.2842,1.292;3.6799,2.0938,-2.3029;3.1242,1.183,-.8908;-2.9218,2.1223,.6437; 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 4 369.67399999999975 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:-4.9549,.3122,1.508;-.0079,-.8385,-1.0182;4.0053,3.0238,-.5424;-.5412,1.7234,-.6163;-.2452,2.518,1.4746;1.2232,3.0257,-.1901;-1.9939,-1.5058,-.0895;-3.1391,-1.2258,.4979;1.5963,-1.2631,1.1927;1.9073,-1.5771,2.6213;.5792,-.9889,2.2676;1.3665,-2.3414,.1934;.5193,-2.1129,-.8859;1.9792,-3.5856,.2766;.2435,-3.0641,-1.8572;1.735,-4.5579,-.68;.876,-4.297,-1.7344;-.7123,-2.7782,-2.9743;2.073,3.8532,.6483;1.7938,2.7574,-1.5005;3.4569,3.2307,.7337;3.196,2.1901,-1.3299;-1.1694,-.5508,-.4242;.1361,2.4369,.3371;-1.449,.809,-.1995;-2.6291,1.1086,.4145;-3.4445,.0182,.7384;2.0911,-.3816,.7929;1.927,-2.614,2.9308;2.6311,-.9549,3.1307;.3736,.041,2.5283;-.2814,-1.6438,2.3172;2.6579,-3.789,1.0945;2.2213,-5.5215,-.6062;.684,-5.0621,-2.4763;-.4631,-1.8582,-3.5035;-1.7297,-2.6746,-2.5937;-.7126,-3.5895,-3.7004;2.1393,4.8519,.2049;1.632,3.9524,1.6373;1.1779,2.0589,-2.0593;1.8357,3.6943,-2.0648;4.1355,3.8919,1.2747;3.393,2.2842,1.292;3.6799,2.0938,-2.3029;3.1242,1.183,-.8908;-2.9218,2.1223,.6437; -1661.47545600 2757.04449489 -4418.51995090 -7753.87387454 3335.35392364 -3317.32416481 1655.84870881 2.00339810 102.000230891687 102.000230891687 204.000461783374 -135.703872780323 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 -2765.3873 -525.4484 -524.9771 -523.9505 -523.0524 -393.9692 -393.6684 -393.5707 -284.3423 -282.8452 -282.5423 -282.5194 -281.3959 -281.3836 -281.3549 -281.1318 -281.0348 -280.9677 -280.1036 -280.0944 -280.0904 -279.7349 -279.7201 -279.7195 -279.7108 -279.6365 -279.5211 -260.6640 -199.5037 -199.2628 -199.2502 -34.6050 -33.6284 -32.2756 -31.7606 -31.5873 -29.6446 -27.6580 -27.2400 -26.5921 -26.1082 -25.0911 -24.9924 -24.4180 -23.8047 -23.7666 -22.3779 -21.9981 -21.6229 -21.2377 -20.4402 -20.2686 -19.7481 -19.3954 -19.2174 -18.4648 -18.4223 -18.2945 -17.9780 -17.0225 -16.7662 -16.5541 -16.4880 -16.4395 -16.2083 -15.9887 -15.9141 -15.7316 -15.5151 -15.4130 -15.3534 -15.0870 -14.7104 -14.5437 -14.3134 -14.1911 -13.9783 -13.9501 -13.6562 -13.4141 -13.1816 -13.1751 -12.9083 -12.6853 -12.6633 -12.4720 -12.2589 -12.1159 -11.8720 -11.6939 -11.6907 -11.4082 -10.9854 -10.9421 -10.8198 -10.6984 -10.6896 -9.6035 -9.4823 -9.3302 -8.9763 -8.9092 0.3516 1.2963 1.6393 1.7878 2.6250 2.8437 3.1100 3.1550 3.4478 3.6377 3.7561 3.9850 4.0788 4.2735 4.4059 4.4239 4.5020 4.5301 4.8829 5.0219 5.1152 5.1882 5.1972 5.3241 5.4033 5.6114 5.6452 5.8216 5.8605 6.0696 6.1579 6.2928 6.3355 6.4195 6.5267 6.6027 6.7101 6.8857 6.9508 7.1937 7.2131 7.3334 7.4933 7.5810 7.6529 7.7587 7.8456 8.0626 8.1645 8.3269 8.4501 8.6319 8.7275 8.8809 8.9585 9.1711 9.2898 9.4451 9.4859 9.5168 9.6373 9.7910 9.8945 9.9928 10.0554 10.3015 10.3554 10.4608 10.5095 10.5842 10.6585 10.7211 10.8225 10.8732 11.0838 11.3507 11.4134 11.4399 11.5349 11.6371 11.6486 11.7790 11.8933 12.0134 12.0983 12.1651 12.2800 12.3406 12.4623 12.5434 12.6058 12.7458 12.8419 12.9568 13.0056 13.1255 13.1915 13.2685 13.3506 13.4488 13.4910 13.5858 13.6337 13.6412 13.8177 13.9488 14.0095 14.0318 14.3425 14.4252 14.4794 14.5931 14.6706 14.7250 14.9660 15.0304 15.1148 15.2333 15.3594 15.4958 15.5402 15.6622 15.7869 15.9475 16.0365 16.1809 16.2775 16.3754 16.4901 16.5941 16.6699 16.7091 16.9077 17.0154 17.1369 17.2938 17.3771 17.5233 17.6902 17.7499 17.8551 18.0807 18.1377 18.2275 18.3631 18.4476 18.5971 18.6656 18.7891 18.9771 19.1557 19.3438 19.4674 19.6269 19.7871 19.8646 20.0902 20.1539 20.2210 20.5842 20.6261 20.7405 20.8884 21.0241 21.1453 21.2712 21.3330 21.4649 21.6194 21.7902 22.0086 22.1465 22.2223 22.2778 22.3670 22.5680 22.6707 22.9238 23.1014 23.2215 23.2816 23.3519 23.5901 23.8456 24.0152 24.1093 24.2986 24.3653 24.5644 24.6784 24.8549 24.9700 25.2531 25.3727 25.4655 25.6081 25.7788 25.8768 26.0146 26.0173 26.1478 26.3238 26.5972 26.6922 26.8851 27.0546 27.1357 27.2941 27.3320 27.4034 27.6617 27.8146 27.9387 28.0868 28.2090 28.2962 28.4307 28.5751 28.7248 28.8584 29.0505 29.1181 29.2584 29.3953 29.5078 29.7694 29.8635 29.9960 30.2453 30.3189 30.3681 30.4064 30.5848 30.6999 30.9530 31.0257 31.1693 31.2061 31.3952 31.5631 31.6394 31.9355 32.1524 32.2515 32.2715 32.4485 32.6646 32.7517 32.7890 33.0681 33.1840 33.2064 33.3483 33.5226 33.7222 33.8617 33.8882 34.0104 34.1890 34.3026 34.4106 34.6089 34.7713 34.9299 34.9952 35.2291 35.3941 35.4558 35.7039 35.7634 36.0039 36.2293 36.3267 36.4720 36.6547 36.6806 37.0138 37.0803 37.1892 37.3258 37.5430 37.7292 37.7991 37.9799 38.2418 38.3017 38.5613 38.6844 38.8989 38.9623 39.0532 39.2332 39.3160 39.3791 39.3914 39.6793 39.7638 39.7889 39.9632 40.3702 40.4951 40.7331 40.7608 40.9972 41.0497 41.4076 41.5765 41.6170 41.7610 41.8994 42.0873 42.1234 42.3013 42.4924 42.6111 42.7513 42.9249 43.1071 43.2654 43.3909 43.4707 43.4730 43.7384 43.8936 43.9586 44.0564 44.1874 44.3537 44.4625 44.5621 44.6860 44.7891 45.2558 45.3733 45.4882 45.6202 45.7889 45.9844 46.2168 46.3693 46.5332 46.5852 46.6915 46.7894 46.9351 47.0400 47.3268 47.4158 47.6180 47.8074 47.9610 48.1732 48.3344 48.3882 48.5006 48.6929 48.7735 48.9094 49.3932 49.5144 49.5831 49.7922 49.9844 50.1652 50.2062 50.2348 50.4179 50.7654 50.8783 51.1029 51.1863 51.4505 51.6802 51.8998 51.9336 52.1916 52.2446 52.6289 52.6821 52.8470 53.4773 53.4965 53.7608 54.1941 54.4285 54.6353 54.7914 54.9813 55.2697 55.4937 55.5562 55.6821 56.0336 56.0675 56.5144 56.7925 56.9315 57.1794 57.3731 57.4604 57.6531 57.7757 58.0334 58.1608 58.2414 58.6966 58.7875 59.1629 59.3243 59.4122 59.5499 59.5921 59.9548 60.0848 60.3130 60.7119 61.0551 61.3507 61.5389 61.6052 61.8678 62.2412 62.4572 62.8221 62.8739 63.1455 63.4884 63.5768 63.6815 63.7486 63.9626 64.1167 64.2497 64.5068 64.8281 64.9301 65.1436 65.2919 65.5242 65.8419 65.9547 66.1969 66.2932 66.5739 66.7145 66.8625 67.0414 67.2314 67.4568 67.5560 67.6541 67.9108 68.1416 68.3537 68.5169 68.7895 69.1572 69.4650 69.5338 69.8631 70.5638 70.7159 70.9764 71.2656 71.4139 71.5128 71.9523 72.1457 72.2070 72.4748 72.7560 72.9400 73.1395 73.2189 73.4415 73.7401 74.0188 74.2620 74.4988 74.6752 75.1772 75.3129 75.5829 75.7175 75.8604 76.2128 76.3734 76.4890 76.7532 76.8150 77.0995 77.2734 77.4486 77.7358 77.8452 78.1103 78.1343 78.3639 78.6977 78.8313 79.1065 79.1767 79.2430 79.4615 79.5577 79.7024 79.9187 80.0304 80.0899 80.4003 80.4894 80.5992 80.6738 80.9680 81.0671 81.1641 81.2732 81.3345 81.4402 81.6668 81.8937 81.9762 82.2871 82.3717 82.4293 82.6268 82.8860 83.0411 83.0825 83.1604 83.3063 83.3855 83.5185 83.6753 83.9643 83.9740 84.0256 84.1136 84.1879 84.4186 84.6519 84.7670 84.8027 84.9173 85.1267 85.2529 85.3906 85.4619 85.6806 85.7826 85.8432 85.9924 86.3311 86.3913 86.5148 86.6608 86.6971 86.8709 86.9462 86.9889 87.1116 87.3770 87.4975 87.6269 87.8446 87.8613 87.9667 88.1098 88.2350 88.2678 88.3482 88.5933 88.7038 88.8669 89.0963 89.1740 89.2069 89.5108 89.6303 89.7117 89.8060 89.9710 90.0589 90.2191 90.2592 90.4393 90.6500 90.7090 90.9456 91.1408 91.3165 91.4884 91.5994 91.7138 91.9767 92.1624 92.2728 92.4117 92.4967 92.6210 92.7977 92.8960 92.9816 93.0734 93.2087 93.3931 93.6024 93.6662 93.8456 93.8960 94.1241 94.1868 94.4140 94.5811 94.7900 94.9512 95.0496 95.1151 95.2775 95.4127 95.5383 95.7446 95.8187 95.9934 96.1261 96.1764 96.4953 96.7101 96.7457 96.8865 97.0750 97.2437 97.5376 97.6748 97.8205 97.8727 97.9759 98.1706 98.4177 98.5491 98.6475 98.9398 99.0617 99.1438 99.2533 99.2757 99.4514 99.6947 99.8358 100.0249 100.2375 100.3168 100.4816 100.5722 100.6948 100.9000 101.1093 101.2079 101.2922 101.7622 101.8369 101.9353 102.1761 102.2262 102.4574 102.5187 102.5951 102.8362 102.8704 103.0807 103.2572 103.4028 103.5772 103.7010 103.8224 104.0752 104.3244 104.4944 104.8854 105.0291 105.1777 105.2799 105.4733 105.5907 105.7883 105.9827 106.3308 106.4180 106.5195 106.6014 106.6583 106.8427 107.0716 107.0932 107.4071 107.6595 107.8403 107.8951 108.0939 108.2648 108.3159 108.5134 108.6724 108.8144 108.9941 109.0224 109.2987 109.6650 109.7495 109.9243 110.0900 110.3217 110.4456 110.5887 110.6771 110.7216 111.0089 111.1043 111.2014 111.5875 111.7503 111.9458 111.9866 112.2936 112.3542 112.6225 112.8801 113.0180 113.1871 113.2395 113.3966 113.4581 113.6029 113.6981 113.9552 114.1320 114.4754 114.5027 114.7582 114.8571 114.9756 115.0757 115.3407 115.4564 115.7048 115.7330 116.0095 116.0678 116.1401 116.4344 116.6384 116.7261 117.0624 117.1855 117.2699 117.6686 117.8609 117.9739 118.1418 118.2426 118.4361 118.4500 118.5570 118.7946 118.8416 118.9721 119.1717 119.5655 119.5945 119.6244 119.7993 119.9057 120.1082 120.2408 120.4383 120.5548 120.6350 120.8826 121.2068 121.2768 121.6659 121.8500 121.8985 122.4106 122.6216 122.7677 123.0126 123.4475 123.5489 124.0519 124.1456 124.3061 124.6459 124.8232 124.9619 125.1114 125.3118 125.5886 125.7449 126.1394 126.3973 126.7913 127.3943 127.4849 127.8425 127.9901 128.7359 128.8698 128.9656 129.3059 129.3948 129.5900 129.7584 129.8764 129.9033 130.1913 130.5451 130.7407 130.9037 131.0209 131.4816 131.6060 131.7216 132.0574 132.0981 132.3958 133.0654 133.1501 133.2080 133.4663 133.8135 133.9304 134.2453 134.5590 134.6714 134.8129 135.0412 135.3364 135.6660 135.9948 136.1685 136.3848 136.4830 137.1147 137.2278 137.3476 137.4541 137.9411 138.0998 138.4534 138.9012 138.9808 139.2406 139.3401 139.7876 139.8237 139.9548 140.0162 140.3862 140.5797 140.8110 141.0294 141.0811 141.6054 141.6829 141.7928 142.1393 142.8283 143.2180 143.2928 143.6309 143.8989 144.1976 144.2626 144.5809 144.6493 144.9236 145.2853 145.4917 145.5567 145.7427 146.0463 146.2305 146.3104 146.6672 146.9957 147.0730 147.3910 147.6689 147.9244 148.3781 148.6157 148.6522 148.8099 149.0571 149.2185 149.4786 149.6679 149.7850 149.8574 150.2122 150.3973 150.4156 150.6862 150.9685 151.2497 151.2973 151.5206 151.7248 152.0654 152.2623 152.4817 152.8870 153.0608 153.3118 153.6404 153.6889 153.8251 154.1527 154.6738 155.0093 155.2958 155.4086 155.7064 156.0256 156.1797 156.6113 156.7024 157.2803 157.3334 157.6004 157.8314 158.0839 158.4419 158.6218 158.9486 159.2436 159.2924 159.8805 160.7286 160.9909 161.6786 162.0145 162.8637 164.1271 164.6946 165.0387 165.3771 165.9157 166.1773 166.4516 166.8791 167.1402 168.5578 168.8898 169.7087 171.6383 172.1027 172.9909 174.4856 175.0954 175.4994 176.5631 177.2160 178.3383 178.7769 180.1824 181.5922 181.8384 182.8375 185.8838 186.4759 187.0069 188.1960 189.2474 190.5796 190.8209 191.8589 192.8018 193.8895 195.2666 196.6588 197.1294 197.7511 198.5501 201.3711 202.1241 204.1863 204.6336 206.0835 209.5130 221.5525 222.8314 223.4286 226.9262 229.1962 294.8247 296.7629 312.0268 618.0775 620.3933 626.9384 633.2230 634.3665 635.4448 635.9011 636.2633 636.3173 638.2742 640.2852 640.5134 642.3339 642.5569 644.6242 646.1381 646.8920 648.5241 657.5274 709.9633 881.5727 887.8328 903.7512 1200.7078 1207.3093 1211.4883 1216.9804 -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 -0.047320 -0.302741 -0.310287 -0.328878 -0.402974 -0.128432 -0.084102 -0.183890 -0.051558 -0.150800 -0.153541 0.079500 0.146769 -0.158735 0.014632 -0.106910 -0.134951 -0.241103 -0.079896 -0.089477 0.012997 0.009097 0.227364 0.404066 0.119278 -0.090388 0.136114 0.055373 0.073503 0.076539 0.095523 0.086936 0.118279 0.122257 0.104006 0.096531 0.112143 0.082717 0.098538 0.107120 0.105121 0.098652 0.091767 0.073113 0.092278 0.081579 0.124190 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 17.0473 8.3027 8.3103 8.3289 8.4030 7.1284 7.0841 7.1839 6.0516 6.1508 6.1535 5.9205 5.8532 6.1587 5.9854 6.1069 6.1350 6.2411 6.0799 6.0895 5.9870 5.9909 5.7726 5.5959 5.8807 6.0904 5.8639 0.9446 0.9265 0.9235 0.9045 0.9131 0.8817 0.8777 0.8960 0.9035 0.8879 0.9173 0.9015 0.8929 0.8949 0.9013 0.9082 0.9269 0.9077 0.9184 0.8758 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 -0.0473 -0.3027 -0.3103 -0.3289 -0.4030 -0.1284 -0.0841 -0.1839 -0.0516 -0.1508 -0.1535 0.0795 0.1468 -0.1587 0.0146 -0.1069 -0.1350 -0.2411 -0.0799 -0.0895 0.0130 0.0091 0.2274 0.4041 0.1193 -0.0904 0.1361 0.0554 0.0735 0.0765 0.0955 0.0869 0.1183 0.1223 0.1040 0.0965 0.1121 0.0827 0.0985 0.1071 0.1051 0.0987 0.0918 0.0731 0.0923 0.0816 0.1242 1.2491 2.1080 1.9953 2.0970 2.1033 3.1600 2.8909 2.9559 3.7817 3.9548 3.8791 3.6590 3.8149 3.9829 3.8274 3.9716 3.9706 3.8976 3.8566 3.8727 3.9678 3.9628 4.1110 4.2954 3.9370 4.0269 4.1682 1.0024 1.0255 1.0217 1.0346 1.0277 1.0083 1.0018 1.0104 0.9992 1.0041 1.0088 1.0053 1.0369 1.0314 1.0066 1.0021 1.0012 1.0044 0.9995 1.0215 1.2491 2.1080 1.9953 2.0970 2.1033 3.1600 2.8909 2.9559 3.7817 3.9548 3.8791 3.6590 3.8149 3.9829 3.8274 3.9716 3.9706 3.8976 3.8566 3.8727 3.9678 3.9628 4.1110 4.2954 3.9370 4.0269 4.1682 1.0024 1.0255 1.0217 1.0346 1.0277 1.0083 1.0018 1.0104 0.9992 1.0041 1.0088 1.0053 1.0369 1.0314 1.0066 1.0021 1.0012 1.0044 0.9995 1.0215 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 1.1135 0.8597 1.0803 0.9822 0.9838 1.0203 0.9600 1.9205 0.8939 0.9057 1.3080 1.1349 1.5721 1.6102 0.9701 0.9125 0.8678 1.0014 0.9321 1.0151 1.0132 1.0095 1.0029 1.3827 1.3568 1.4205 1.4643 0.9662 1.3905 0.9464 1.4562 0.9781 0.9698 0.9917 0.9825 0.9882 0.9452 0.9901 0.9903 0.9388 0.9901 0.9930 0.9867 0.9985 0.9870 0.9994 1.2428 1.5672 1.2954 0.9373 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 -0.027390506 -1661.502846509395 32.85563 -31.56535 1.29028 -1.55428 2.57104 1.01676 -4.99954 4.20461 -0.79493 1.82498 4.63872