Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 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 47 48 49 50 51 Cl S O O O O O O O C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 1 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 419.7277999999997 AuxInfo=1/0/N:29,16,12,11,18,17,27,28,13,14,23,10,24,22,20,19,25,15,26,21,1,6,5,7,8,9,4,3,2/E:(25,26)/CRV:7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:52nClSOOO1OO1O1O1CCCCCC3CCCC3C3C3C3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s2;s2;s3;s10;s11;s3s12;s4s10;;;s16;s16;s5s15s17;s6s15s18;s7s15;;s4s22;s21;s2s22;s1s22s24;s24;s25s27;s2;s10;s11;s11;s12;s12;s13;s13;s14;s14;s16;s16;s17;s17;s18;s18;s23;s23;s27;s28;s29;s29;s29;s6;/rC:.7159,.1208,-1.7934;-4.0531,-1.4631,.4771;-1.202,5.1654,-.6581;-1.6943,1.6048,-.4534;1.3743,-.0646,1.4934;4.5883,-2.6105,-.7999;2.1966,-3.1944,-1.0638;-4.7648,-1.1989,-.771;-4.451,-2.6342,1.2542;-1.1366,3.86,-.0932;.3404,3.5863,.1955;.9059,4.9933,.3489;.0899,5.7572,-.6788;-1.7689,2.8741,-1.0587;2.882,-1.3709,.2464;4.9417,-.0204,1.7299;3.622,.6981,1.511;5.3351,-.7926,.4839;2.5182,-.2485,1.1184;4.2203,-1.6285,-.0376;1.889,-2.224,-.3636;-1.5976,-.7054,-.6526;-2.1801,.55,-1.2474;.4242,-1.9842,-.1768;-2.2954,-1.6142,.1508;-.2318,-.9322,-.7996;-.3085,-2.8828,.5774;-1.6681,-2.6978,.7464;-4.1837,-.0437,1.5335;-1.71,3.8546,.8434;.4856,2.9591,1.0746;.8112,3.0808,-.652;1.9777,5.0503,.1585;.7221,5.3797,1.3541;-.0055,6.8221,-.4547;.5376,5.6663,-1.6766;-2.811,3.1519,-1.2686;-1.2254,2.8852,-2.0144;5.7242,.6957,1.9795;4.8558,-.7046,2.5773;3.7259,1.4273,.6977;3.3119,1.2516,2.3979;6.2049,-1.4284,.6584;5.6139,-.0991,-.3189;-3.2706,.5404,-1.2744;-1.8543,.6464,-2.2903;.1825,-3.7204,1.0547;-2.2244,-3.3984,1.352;-5.2427,.0931,1.7561;-3.7953,.846,1.0432;-3.634,-.2313,2.4537;3.7595,-3.093,-1.1026; 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 1678 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 232 Dim 1243 ENuc 3371.1211712943 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 4.084e-06 Time for diagonalization 0.535 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.271 sec Total time needed 0.812 sec 17 16 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.7277999999997 AuxInfo=1/0/N:29,16,12,11,18,17,27,28,13,14,23,10,24,22,20,19,25,15,26,21,1,6,5,7,8,9,4,3,2/E:(25,26)/CRV:7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:52nClSOOO1OO1O1O1CCCCCC3CCCC3C3C3C3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s2;s2;s3;s10;s11;s3s12;s4s10;;;s16;s16;s5s15s17;s6s15s18;s7s15;;s4s22;s21;s2s22;s1s22s24;s24;s25s27;s2;s10;s11;s11;s12;s12;s13;s13;s14;s14;s16;s16;s17;s17;s18;s18;s23;s23;s27;s28;s29;s29;s29;s6;/rC:.7159,.1208,-1.7934;-4.0531,-1.4631,.4771;-1.202,5.1654,-.6581;-1.6943,1.6048,-.4534;1.3743,-.0646,1.4934;4.5883,-2.6105,-.7999;2.1966,-3.1944,-1.0638;-4.7648,-1.1989,-.771;-4.451,-2.6342,1.2542;-1.1366,3.86,-.0932;.3404,3.5863,.1955;.9059,4.9933,.3489;.0899,5.7572,-.6788;-1.7689,2.8741,-1.0587;2.882,-1.3709,.2464;4.9417,-.0204,1.7299;3.622,.6981,1.511;5.3351,-.7926,.4839;2.5182,-.2485,1.1184;4.2203,-1.6285,-.0376;1.889,-2.224,-.3636;-1.5976,-.7054,-.6526;-2.1801,.55,-1.2474;.4242,-1.9842,-.1768;-2.2954,-1.6142,.1508;-.2318,-.9322,-.7996;-.3085,-2.8828,.5774;-1.6681,-2.6978,.7465;-4.1837,-.0437,1.5335;-1.71,3.8546,.8434;.4856,2.9591,1.0746;.8112,3.0808,-.652;1.9777,5.0503,.1585;.7221,5.3797,1.3541;-.0055,6.8221,-.4547;.5376,5.6663,-1.6766;-2.811,3.1519,-1.2686;-1.2254,2.8852,-2.0144;5.7242,.6957,1.9795;4.8558,-.7046,2.5773;3.7259,1.4273,.6977;3.3119,1.2516,2.3979;6.2049,-1.4284,.6584;5.6139,-.0991,-.3189;-3.2706,.5404,-1.2744;-1.8543,.6464,-2.2903;.1825,-3.7204,1.0547;-2.2244,-3.3984,1.352;-5.2427,.0931,1.7561;-3.7953,.846,1.0432;-3.634,-.2313,2.4537;3.7595,-3.093,-1.1026; 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" 419.7277999999997 AuxInfo=1/0/N:29,16,12,11,18,17,27,28,13,14,23,10,24,22,20,19,25,15,26,21,1,6,5,7,8,9,4,3,2/E:(25,26)/CRV:7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:52nClSOOO1OO1O1O1CCCCCC3CCCC3C3C3C3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s2;s2;s3;s10;s11;s3s12;s4s10;;;s16;s16;s5s15s17;s6s15s18;s7s15;;s4s22;s21;s2s22;s1s22s24;s24;s25s27;s2;s10;s11;s11;s12;s12;s13;s13;s14;s14;s16;s16;s17;s17;s18;s18;s23;s23;s27;s28;s29;s29;s29;s6;/rC:.7159,.1208,-1.7934;-4.0531,-1.4631,.4771;-1.202,5.1654,-.6581;-1.6943,1.6048,-.4534;1.3743,-.0646,1.4934;4.5883,-2.6105,-.7999;2.1966,-3.1944,-1.0638;-4.7648,-1.1989,-.771;-4.451,-2.6342,1.2542;-1.1366,3.86,-.0932;.3404,3.5863,.1955;.9059,4.9933,.3489;.0899,5.7572,-.6788;-1.7689,2.8741,-1.0587;2.882,-1.3709,.2464;4.9417,-.0204,1.7299;3.622,.6981,1.511;5.3351,-.7926,.4839;2.5182,-.2485,1.1184;4.2203,-1.6285,-.0376;1.889,-2.224,-.3636;-1.5976,-.7054,-.6526;-2.1801,.55,-1.2474;.4242,-1.9842,-.1768;-2.2954,-1.6142,.1508;-.2318,-.9322,-.7996;-.3085,-2.8828,.5774;-1.6681,-2.6978,.7464;-4.1837,-.0437,1.5335;-1.71,3.8546,.8434;.4856,2.9591,1.0746;.8112,3.0808,-.652;1.9777,5.0503,.1585;.7221,5.3797,1.3541;-.0055,6.8221,-.4547;.5376,5.6663,-1.6766;-2.811,3.1519,-1.2686;-1.2254,2.8852,-2.0144;5.7242,.6957,1.9795;4.8558,-.7046,2.5773;3.7259,1.4273,.6977;3.3119,1.2516,2.3979;6.2049,-1.4284,.6584;5.6139,-.0991,-.3189;-3.2706,.5404,-1.2744;-1.8543,.6464,-2.2903;.1825,-3.7204,1.0547;-2.2244,-3.3984,1.352;-5.2427,.0931,1.7561;-3.7953,.846,1.0432;-3.634,-.2313,2.4537;3.7595,-3.093,-1.1026; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S O C H 2.3800 2.4900 1.6280 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 2878 GEPOL Volume 2837.6146 GEPOL Surface-area 1505.2861 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -2161.10737347 3371.12117129 -5532.22854477 -9672.61075842 4140.38221365 -0.04886970 -4315.15778899 2154.05041551 2.00327613 115.999910783731 115.999910783731 231.999821567462 -162.928620511224 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.5416 -2425.8857 -524.8524 -523.7731 -523.7284 -523.3807 -523.3647 -523.3276 -522.9944 -282.9424 -282.9207 -282.3354 -281.9621 -281.1926 -281.1399 -281.0020 -280.8318 -280.8305 -280.7206 -280.5870 -280.4272 -280.4062 -280.3471 -280.0471 -280.0187 -279.7753 -279.6970 -279.3628 -279.3451 -260.8162 -223.6239 -199.6537 -199.4173 -199.4038 -167.9327 -167.9073 -167.9035 -33.4986 -33.4974 -32.1991 -31.8731 -31.7109 -31.4371 -30.6052 -28.2846 -26.6735 -26.3690 -25.4336 -24.6245 -24.4689 -24.3348 -23.9375 -23.7023 -23.3889 -22.2944 -21.7623 -20.8796 -20.7470 -19.8613 -19.6423 -19.5415 -19.1218 -18.8103 -18.4795 -18.3556 -17.5337 -17.1937 -16.8946 -16.8730 -16.4518 -16.3277 -16.1633 -15.9703 -15.9644 -15.8029 -15.6386 -15.6287 -15.3066 -15.1291 -15.0283 -14.8026 -14.6574 -14.5599 -14.4990 -14.4032 -14.2081 -14.0918 -14.0676 -13.9304 -13.6703 -13.5999 -13.4108 -13.1738 -13.0101 -12.7535 -12.5593 -12.3246 -12.1928 -12.1386 -12.0878 -12.0508 -11.8289 -11.7832 -11.5985 -11.5050 -11.3102 -11.2487 -11.2001 -10.9255 -10.5950 -9.9967 -9.8622 -9.6138 -9.5318 -9.4441 -9.2062 0.0421 0.5807 0.8715 1.3302 2.7102 3.1332 3.3172 3.5456 3.7834 3.8507 4.0005 4.1242 4.2110 4.2284 4.3353 4.4875 4.6300 4.7095 4.7612 4.7759 4.8719 5.0173 5.1634 5.2919 5.3959 5.5305 5.5648 5.6450 5.7675 5.8198 5.9939 6.0351 6.0521 6.1970 6.3432 6.4414 6.5351 6.6044 6.7352 6.7839 6.9516 7.1206 7.2365 7.3808 7.4927 7.6196 7.7065 7.7159 7.8398 7.9076 7.9990 8.0601 8.2410 8.3324 8.3592 8.4979 8.6159 8.7264 8.7994 8.9120 9.0843 9.1425 9.1852 9.4139 9.5457 9.6626 9.7995 9.8657 10.0253 10.0541 10.1595 10.3862 10.3921 10.5000 10.5604 10.6563 10.8247 10.9449 10.9778 11.1256 11.2157 11.2849 11.3952 11.5394 11.6385 11.6813 11.8347 11.9242 12.1281 12.2461 12.3088 12.4052 12.6390 12.6547 12.7925 12.8155 12.9452 13.0480 13.1106 13.1286 13.2029 13.2843 13.3455 13.3612 13.4483 13.5342 13.7171 13.7604 13.8613 13.9133 14.0107 14.0856 14.1291 14.2595 14.3131 14.3493 14.4046 14.5490 14.6133 14.6825 14.7564 14.7967 14.8351 14.9007 14.9935 15.0189 15.1180 15.2353 15.3766 15.4282 15.5051 15.5309 15.6894 15.7456 15.8245 15.9141 15.9700 16.2371 16.3084 16.3797 16.4921 16.5760 16.6564 16.8160 16.9247 17.0326 17.2555 17.3066 17.5015 17.5408 17.7186 17.8923 18.0736 18.1385 18.3099 18.3468 18.3932 18.5663 18.5967 18.7648 18.7752 18.8632 19.0048 19.3902 19.4326 19.5749 19.7289 19.7938 19.9779 20.1175 20.2871 20.3061 20.6294 20.6971 20.8014 20.8221 20.9989 21.2227 21.3128 21.3665 21.5260 21.6899 21.9203 22.0265 22.1436 22.2164 22.4212 22.5710 22.6018 22.7574 22.9202 23.0831 23.1749 23.3388 23.5435 23.5639 23.6102 23.8021 23.8825 24.1004 24.1580 24.2992 24.4323 24.5410 24.6810 24.7411 24.9408 25.1219 25.1848 25.3653 25.4490 25.4747 25.5840 25.6714 25.8199 25.9715 26.0338 26.1139 26.1979 26.3453 26.4935 26.5892 26.6855 26.8651 26.9336 26.9592 27.1095 27.3789 27.4533 27.7132 27.7247 27.8416 28.0050 28.2658 28.4825 28.5005 28.7084 28.7840 28.8554 28.9795 29.0695 29.2034 29.2411 29.5911 29.7112 29.8503 29.9142 30.0914 30.3236 30.3847 30.5108 30.7486 30.8981 30.9422 31.0701 31.1648 31.3247 31.4595 31.5795 31.6226 31.6816 31.9643 32.0341 32.1708 32.3496 32.4393 32.5418 32.6416 32.6743 32.9693 32.9962 33.1416 33.2205 33.3860 33.4801 33.6417 33.7783 33.8146 33.9937 34.2356 34.2956 34.5899 34.8496 35.0164 35.0852 35.2273 35.3329 35.4631 35.5780 35.6686 35.6854 35.9477 36.1268 36.1753 36.3117 36.4179 36.6017 36.6404 36.7648 36.8813 37.0508 37.2078 37.3698 37.4754 37.5333 37.6919 37.8220 37.9254 38.1093 38.1878 38.4014 38.5028 38.6623 38.8351 38.9045 39.0658 39.2146 39.2679 39.4284 39.5109 39.7373 39.9808 40.1343 40.3180 40.3521 40.6402 40.7420 40.7868 40.9760 41.0423 41.2286 41.2633 41.4505 41.4884 41.6253 41.7345 41.7741 41.9336 41.9963 42.0367 42.2073 42.3715 42.4885 42.6627 42.6704 42.8006 42.9120 42.9286 43.0374 43.1369 43.3204 43.4690 43.5197 43.6581 43.9445 44.0510 44.0868 44.1858 44.3696 44.5865 44.8763 44.9912 45.2384 45.3688 45.4109 45.5341 45.6689 45.7625 45.8843 46.1905 46.3528 46.3898 46.5803 46.7553 46.8683 46.9056 47.1077 47.1279 47.2955 47.3687 47.5847 47.6406 47.8352 47.9909 48.1284 48.1680 48.6573 48.6943 48.9165 49.0606 49.1767 49.3206 49.4979 49.6123 49.8796 50.0336 50.1415 50.4510 50.6790 50.7582 50.8974 51.1771 51.6097 51.7840 52.0652 52.2126 52.4804 52.5877 52.8948 53.1032 53.2014 53.3981 53.6419 53.8555 53.9426 54.1620 54.3309 54.5332 54.8946 55.0347 55.1486 55.2534 55.4484 55.7132 55.9548 56.1443 56.3444 56.4755 56.7409 56.8579 57.1737 57.2670 57.3740 57.8368 58.0673 58.1536 58.2138 58.5113 58.6658 58.7795 58.8015 59.1322 59.2697 59.4553 59.5448 59.7827 59.9318 60.2566 60.4301 60.5413 60.6475 60.8946 61.0428 61.1565 61.4469 61.4863 61.7266 61.8180 61.9892 62.2391 62.5147 62.7633 62.8858 63.0554 63.3248 63.4609 63.7168 63.8555 63.8938 64.1694 64.4364 64.5423 64.6599 64.8565 65.0541 65.3099 65.3374 65.5767 65.7608 66.0191 66.3665 66.5120 66.6369 66.6782 67.0138 67.1023 67.2595 67.7682 67.7799 67.9089 68.2695 68.3059 68.4028 68.6859 68.8458 68.9850 69.1450 69.4678 69.6743 69.9390 70.2532 70.4962 70.7909 70.9547 71.0887 71.2530 71.4246 71.6922 72.0231 72.1015 72.5030 72.6394 72.6676 72.7898 72.9016 72.9704 73.3250 73.3926 73.6092 73.7406 73.8476 74.1295 74.4263 74.5081 74.6077 74.6454 75.0329 75.2052 75.3920 75.5262 75.7602 75.8680 76.0709 76.1235 76.2931 76.5061 76.8329 76.8649 77.0209 77.2893 77.3726 77.5437 77.7030 77.7913 77.9187 78.3229 78.3856 78.4233 78.5651 79.0016 79.0820 79.2302 79.3174 79.4783 79.6349 79.6873 80.1577 80.2741 80.5801 80.7296 80.8662 80.9278 81.0771 81.1792 81.2246 81.4571 81.5488 81.6412 81.8109 81.8812 82.0473 82.1421 82.1842 82.2560 82.4708 82.5931 82.6448 82.8881 82.9410 83.1666 83.1804 83.4473 83.7323 83.7753 83.7981 83.9788 84.1301 84.3185 84.5444 84.5896 84.7474 84.8935 85.0351 85.0745 85.1421 85.2243 85.4178 85.4921 85.8440 85.9226 85.9963 86.0843 86.2905 86.3272 86.5053 86.7476 86.9351 86.9713 87.0111 87.1914 87.2927 87.4121 87.5749 87.6834 87.8364 87.9483 88.0217 88.0515 88.1640 88.3096 88.4181 88.5177 88.6315 88.7629 88.8383 88.9048 89.0375 89.1008 89.3276 89.3940 89.4353 89.6224 89.7153 89.7704 89.8797 90.0141 90.1321 90.3111 90.5038 90.5525 90.7205 90.7722 90.9607 91.0060 91.1643 91.2046 91.4439 91.5569 91.6375 91.7575 91.9805 92.2493 92.3503 92.3938 92.4938 92.7087 92.8444 92.8955 93.0615 93.2997 93.4195 93.5854 93.7761 93.9106 93.9906 94.0426 94.2898 94.4272 94.6211 94.7380 94.8324 95.0787 95.1650 95.2328 95.3858 95.4624 95.8528 96.0711 96.2062 96.2770 96.2991 96.4796 96.5656 96.7011 96.7747 97.0208 97.2201 97.4022 97.5361 97.6076 97.8216 97.9907 98.1514 98.2161 98.2515 98.4245 98.7202 98.8700 98.8972 99.0472 99.2221 99.2913 99.4210 99.4948 99.6427 99.7637 99.9557 100.1148 100.2190 100.3574 100.5085 100.6446 100.7399 100.8282 100.9989 101.0658 101.3429 101.5354 101.5927 101.8538 101.9490 101.9959 102.2874 102.4980 102.5278 102.5844 102.7050 102.7486 103.1092 103.3727 103.5373 103.6299 103.7735 103.9605 104.0892 104.2263 104.3134 104.6755 104.7783 104.8318 104.8789 105.1504 105.1865 105.3771 105.8615 105.9420 105.9779 106.1498 106.1905 106.4880 106.6592 106.7239 106.9873 107.0840 107.1476 107.2944 107.5909 107.6116 108.0149 108.1570 108.2810 108.4213 108.5239 108.6336 108.7647 108.9741 109.1173 109.2837 109.3112 109.4971 109.7148 109.8360 110.1377 110.3092 110.4299 110.5758 110.6553 110.8863 111.1066 111.3212 111.3720 111.6032 111.7054 111.9255 112.0056 112.0858 112.2173 112.5440 112.6287 113.0027 113.0419 113.2468 113.3299 113.4416 113.5823 113.7402 113.8218 113.9961 114.2780 114.4629 114.5872 114.7359 114.9116 115.2120 115.3828 115.4727 115.4969 115.9208 115.9492 116.0177 116.2307 116.3819 116.5306 116.6551 116.7746 116.9457 117.1435 117.2817 117.3710 117.4961 117.6067 117.7980 117.9034 118.0969 118.1779 118.3591 118.3959 118.5493 118.7338 118.8230 119.0496 119.1896 119.3850 119.4980 119.6107 119.7372 119.9424 120.1348 120.1733 120.3920 120.6525 120.7606 121.2355 121.2909 121.3711 121.5088 121.6385 121.7998 121.9316 122.0211 122.2052 122.3160 122.6729 122.9250 122.9500 123.0258 123.3627 123.4567 123.9885 124.2078 124.4758 124.8000 124.8773 125.1574 125.2720 125.5695 125.9590 126.1223 126.3408 126.3663 126.6474 126.8461 126.9448 127.2293 127.3897 127.5378 127.8081 128.0989 128.3221 128.4935 128.7310 128.8811 129.1314 129.1748 129.5719 129.6277 129.8661 130.2666 130.3866 130.8663 130.9707 131.0934 131.3395 131.3721 131.7212 132.5300 132.6635 132.9204 133.0970 133.3958 133.5017 133.6321 133.7239 134.3307 134.5434 134.8875 135.1665 135.2606 135.4583 135.6675 136.0003 136.1158 136.2064 136.3866 136.5162 136.8719 136.9451 137.2673 137.8013 137.9046 138.1109 138.3090 138.5213 138.6007 138.8792 138.9584 139.3447 139.5278 139.8197 139.9833 140.4656 140.8015 141.2901 141.4945 141.8911 142.0071 142.2263 142.3156 142.4546 142.4858 142.5931 142.8204 142.8409 143.0748 143.2813 143.6121 143.7862 144.0419 144.1757 144.2499 144.5829 144.8127 144.8587 145.1320 145.2372 145.4687 145.7002 145.8972 146.1663 146.2665 146.4360 146.7879 147.0644 147.1342 147.3436 147.6187 147.8471 148.0640 148.3517 148.4567 148.5597 148.7663 149.1894 149.5601 149.8494 150.1716 150.4254 150.5083 150.8021 151.1166 151.4472 151.6244 151.8015 151.8522 152.2392 152.5574 152.7080 152.9766 153.0056 153.1413 153.3203 153.5046 153.7204 153.8754 154.0382 154.2800 154.5376 154.6116 155.0076 155.1600 155.2570 155.5836 155.6034 156.2762 156.3347 156.6322 156.8303 157.0220 157.3080 157.4627 157.7283 158.3207 158.5650 158.7691 159.0891 159.4039 159.5621 159.6607 159.9660 160.3489 160.9091 161.1548 162.9371 163.8349 164.3877 165.3940 166.1613 166.4078 167.0564 168.4111 169.1011 170.5639 171.0711 171.1428 171.4526 172.2358 173.2821 174.0285 174.4072 174.8044 175.2138 175.3692 175.5869 176.0713 177.2291 177.3999 178.7621 179.0059 179.8523 181.4280 182.6509 184.4170 184.7465 184.8740 185.4610 186.3107 186.7404 186.9969 188.0709 188.6070 188.9016 189.0558 189.1547 189.6027 189.8059 190.1975 190.4528 191.5047 191.5579 191.9464 194.9447 195.6541 196.3509 196.6239 197.1048 197.5199 197.7591 200.6373 200.9268 201.0049 204.1551 204.9752 206.2969 206.8418 212.0379 212.3983 213.8764 224.4431 225.2092 225.7068 228.7753 230.7839 261.7960 263.5844 274.8573 297.9947 300.8258 314.2447 609.2825 611.2779 623.7053 628.1833 630.5159 631.9844 633.1716 635.1572 635.8115 636.8926 637.8017 639.0311 639.6269 640.5548 640.7372 641.1595 642.9395 643.3120 643.6920 645.6419 653.2379 721.2099 1192.6306 1198.1776 1198.7759 1201.9018 1204.0991 1210.2627 1214.6292 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 47 48 49 50 51 Cl S O O O O O O O C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.072173 0.855003 -0.411927 -0.342581 -0.457927 -0.305845 -0.433176 -0.542184 -0.550788 0.187778 -0.171818 -0.133199 0.036485 -0.037924 -0.327578 -0.137543 -0.079445 -0.078987 0.313484 0.306639 0.376138 -0.030724 -0.083272 0.147506 0.001473 -0.047573 -0.154379 -0.097203 -0.247594 0.084351 0.076881 0.072192 0.078129 0.080099 0.082445 0.069621 0.094890 0.083873 0.084329 0.085957 0.096655 0.086484 0.100048 0.110756 0.119151 0.127119 0.148447 0.155380 0.139485 0.134894 0.142452 0.265696 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 Cl S O O O O O O O C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 17.0722 15.1450 8.4119 8.3426 8.4579 8.3058 8.4332 8.5422 8.5508 5.8122 6.1718 6.1332 5.9635 6.0379 6.3276 6.1375 6.0794 6.0790 5.6865 5.6934 5.6239 6.0307 6.0833 5.8525 5.9985 6.0476 6.1544 6.0972 6.2476 0.9156 0.9231 0.9278 0.9219 0.9199 0.9176 0.9304 0.9051 0.9161 0.9157 0.9140 0.9033 0.9135 0.9000 0.8892 0.8808 0.8729 0.8516 0.8446 0.8605 0.8651 0.8575 0.7343 17.0000 16.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0722 0.8550 -0.4119 -0.3426 -0.4579 -0.3058 -0.4332 -0.5422 -0.5508 0.1878 -0.1718 -0.1332 0.0365 -0.0379 -0.3276 -0.1375 -0.0794 -0.0790 0.3135 0.3066 0.3761 -0.0307 -0.0833 0.1475 0.0015 -0.0476 -0.1544 -0.0972 -0.2476 0.0844 0.0769 0.0722 0.0781 0.0801 0.0824 0.0696 0.0949 0.0839 0.0843 0.0860 0.0967 0.0865 0.1000 0.1108 0.1192 0.1271 0.1484 0.1554 0.1395 0.1349 0.1425 0.2657 1.2726 5.5377 1.9622 1.9002 2.0189 2.2589 2.0778 1.9066 1.9304 3.8761 3.9143 3.9340 3.9638 3.9585 3.4795 3.9395 3.8595 3.9413 3.9277 3.9224 3.7930 3.7595 3.8924 3.5325 3.7462 4.0150 4.0686 3.9337 3.8636 1.0055 1.0318 1.0212 1.0162 1.0077 0.9922 0.9873 1.0030 1.0035 1.0116 1.0077 1.0082 1.0281 1.0206 1.0068 1.0278 0.9990 1.0051 1.0187 1.0131 1.0171 1.0084 1.0650 1.2726 5.5377 1.9622 1.9002 2.0189 2.2589 2.0778 1.9066 1.9304 3.8761 3.9143 3.9340 3.9638 3.9585 3.4795 3.9395 3.8595 3.9413 3.9277 3.9224 3.7930 3.7595 3.8924 3.5325 3.7462 4.0150 4.0686 3.9337 3.8636 1.0055 1.0318 1.0212 1.0162 1.0077 0.9922 0.9873 1.0030 1.0035 1.0116 1.0077 1.0082 1.0281 1.0206 1.0068 1.0278 0.9990 1.0051 1.0187 1.0131 1.0171 1.0084 1.0650 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 1.1258 1.7583 1.7893 0.8993 0.9381 0.9323 0.9704 0.9231 0.9112 1.8952 1.3630 0.8205 1.7622 0.2028 0.9460 0.9678 0.9829 0.9494 0.9842 1.0087 0.9696 0.9959 1.0033 0.9798 0.9868 0.9924 0.9747 0.9972 1.3838 1.1167 0.9189 0.9330 1.0024 1.0050 1.0105 0.9709 0.9898 1.0162 0.9897 0.9632 0.9001 0.9050 1.3409 1.4141 1.0088 0.9907 1.2811 1.3969 1.3868 1.4626 0.9875 0.9492 0.9499 0.9452 0.9521 0 25 1 7 1 8 1 24 1 28 2 9 2 12 3 13 3 22 4 18 5 19 5 51 6 20 6 51 9 10 9 13 9 29 10 11 10 30 10 31 11 12 11 32 11 33 12 34 12 35 13 36 13 37 14 18 14 19 14 20 15 16 15 17 15 38 15 39 16 18 16 40 16 41 17 19 17 42 17 43 20 23 21 22 21 24 21 25 22 44 22 45 23 25 23 26 24 27 26 27 26 46 27 47 28 48 28 49 28 50 -0.031056379 -2161.138429854419 11.12278 -6.87163 4.25115 29.34568 -27.61307 1.73261 10.82574 -9.63503 1.19071 4.74257 12.05466