Orca 5.0.2 RELEASE 1 2 3 4 5 6 7 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S F F F F O O O O O N N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H 1 2 3 3 3 3 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.0875,-2.697,-1.9125;-3.0656,.626,.7068;1.7536,-3.1153,-.643;6.5115,1.7345,-.3131;5.7205,2.0706,1.6487;6.7162,.2122,1.1796;-1.8319,1.2321,1.2128;-3.2761,-.779,1.0593;-2.73,.4775,-3.0006;1.6788,-.8193,1.6991;2.6625,-.0778,-2.6535;-4.3003,1.4873,1.4137;-3.2736,.9079,-.8633;2.1671,-.429,-.4696;3.7297,.0366,1.2258;-5.6641,.9385,1.3033;-6.4517,1.4733,.1126;-6.4106,1.1718,2.6101;-4.1836,2.9321,1.2866;.8925,-.9503,-.8221;-1.4196,-.6326,-1.4238;-2.5468,.301,-1.7979;-.1773,-.1152,-1.0832;2.4752,-.4265,.879;4.5666,.5509,.2668;3.0025,.002,-1.4928;.7145,-2.3188,-.9012;4.2576,.5487,-1.0385;-1.558,-2.012,-1.4943;-.5034,-2.8718,-1.2302;4.0427,.0026,2.6577;5.89,1.1467,.7023;-5.5597,-.1395,1.1822;-7.4065,.9501,.0398;-6.6738,2.5377,.2107;-5.9155,1.3203,-.8231;-6.5803,2.2327,2.8055;-5.8638,.7538,3.4558;-7.3895,.6911,2.5729;-4.966,3.4021,1.8805;-4.2765,3.2908,.2572;-3.2328,3.275,1.6884;-.0354,.9558,-1.022;4.9218,.9471,-1.7888;-.6213,-3.946,-1.2786;5.0962,-.1892,2.8258;3.4993,-.8182,3.1131;3.7475,.9295,3.1478; 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 1748 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge -1 Mult 1 NEL 256 Dim 1238 ENuc 3907.2844247562 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.678e-06 Time for diagonalization 0.516 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.398 sec Total time needed 0.933 sec 17 16 9 9 9 9 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.0875,-2.697,-1.9125;-3.0656,.626,.7068;1.7536,-3.1153,-.643;6.5115,1.7345,-.3131;5.7205,2.0706,1.6487;6.7162,.2122,1.1796;-1.8319,1.2321,1.2128;-3.2761,-.779,1.0593;-2.73,.4775,-3.0006;1.6788,-.8193,1.6991;2.6625,-.0778,-2.6535;-4.3003,1.4873,1.4137;-3.2736,.9079,-.8633;2.1671,-.429,-.4696;3.7297,.0366,1.2258;-5.6641,.9385,1.3033;-6.4517,1.4733,.1126;-6.4106,1.1718,2.6101;-4.1836,2.9321,1.2866;.8925,-.9503,-.8221;-1.4196,-.6326,-1.4238;-2.5468,.301,-1.7979;-.1773,-.1152,-1.0832;2.4752,-.4265,.879;4.5666,.5509,.2668;3.0025,.002,-1.4928;.7145,-2.3188,-.9012;4.2576,.5487,-1.0385;-1.558,-2.012,-1.4943;-.5034,-2.8718,-1.2302;4.0427,.0026,2.6577;5.89,1.1467,.7023;-5.5597,-.1395,1.1822;-7.4065,.9501,.0398;-6.6738,2.5378,.2107;-5.9155,1.3203,-.8231;-6.5803,2.2327,2.8055;-5.8638,.7538,3.4558;-7.3895,.6911,2.5729;-4.966,3.4021,1.8805;-4.2765,3.2908,.2572;-3.2328,3.275,1.6884;-.0354,.9558,-1.022;4.9218,.9471,-1.7888;-.6213,-3.946,-1.2786;5.0962,-.1892,2.8258;3.4993,-.8182,3.1131;3.7475,.9295,3.1478; -1 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" 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.0875,-2.697,-1.9125;-3.0656,.626,.7068;1.7536,-3.1153,-.643;6.5115,1.7345,-.3131;5.7205,2.0706,1.6487;6.7162,.2122,1.1796;-1.8319,1.2321,1.2128;-3.2761,-.779,1.0593;-2.73,.4775,-3.0006;1.6788,-.8193,1.6991;2.6625,-.0778,-2.6535;-4.3003,1.4873,1.4137;-3.2736,.9079,-.8633;2.1671,-.429,-.4696;3.7297,.0366,1.2258;-5.6641,.9385,1.3033;-6.4517,1.4733,.1126;-6.4106,1.1718,2.6101;-4.1836,2.9321,1.2866;.8925,-.9503,-.8221;-1.4196,-.6326,-1.4238;-2.5468,.301,-1.7979;-.1773,-.1152,-1.0832;2.4752,-.4265,.879;4.5666,.5509,.2668;3.0025,.002,-1.4928;.7145,-2.3188,-.9012;4.2576,.5487,-1.0385;-1.558,-2.012,-1.4943;-.5034,-2.8718,-1.2302;4.0427,.0026,2.6577;5.89,1.1467,.7023;-5.5597,-.1395,1.1822;-7.4065,.9501,.0398;-6.6738,2.5377,.2107;-5.9155,1.3203,-.8231;-6.5803,2.2327,2.8055;-5.8638,.7538,3.4558;-7.3895,.6911,2.5729;-4.966,3.4021,1.8805;-4.2765,3.2908,.2572;-3.2328,3.275,1.6884;-.0354,.9558,-1.022;4.9218,.9471,-1.7888;-.6213,-3.946,-1.2786;5.0962,-.1892,2.8258;3.4993,-.8182,3.1131;3.7475,.9295,3.1478; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S F O N C H 2.3800 2.4900 1.7300 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 2698 GEPOL Volume 3014.3411 GEPOL Surface-area 1601.2425 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2510.75577290 3907.28442476 -6418.04019765 -11261.36270331 4843.32250565 -0.12299926 -5013.66784847 2502.91207557 2.00313383 128.000061514622 128.000061514622 256.000123029244 -187.585303365647 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.1040 -2425.4916 -675.7423 -675.7274 -675.7208 -675.0127 -522.9406 -522.9277 -522.4391 -522.3840 -521.9344 -394.6250 -394.3716 -392.6125 -391.3572 -287.1221 -283.9427 -283.1513 -282.3381 -282.2805 -282.1125 -281.6050 -281.0894 -280.5002 -280.2222 -280.2203 -280.1297 -280.1114 -280.0451 -279.7534 -278.8200 -278.7179 -260.3765 -223.0585 -199.2136 -198.9765 -198.9660 -167.3934 -167.3578 -167.3463 -39.6519 -37.0832 -37.0587 -36.9454 -33.0830 -32.9641 -32.0963 -30.9153 -30.2614 -29.6419 -29.4353 -28.1781 -27.7053 -26.8706 -26.1697 -25.7486 -24.1351 -24.0863 -23.9119 -23.0016 -22.7963 -21.8781 -21.5548 -21.3870 -20.9253 -20.6513 -20.2040 -19.9332 -19.7709 -19.6146 -19.1964 -18.6517 -18.3135 -17.9787 -17.5868 -17.3717 -17.0009 -16.6872 -16.4587 -16.2042 -16.1343 -16.0443 -16.0026 -15.5890 -15.5045 -15.3802 -15.1557 -15.0884 -14.8479 -14.7990 -14.7362 -14.7041 -14.5272 -14.5007 -14.4150 -14.3688 -14.3038 -14.2472 -14.0277 -13.8985 -13.6927 -13.6256 -13.3303 -13.2350 -13.1159 -13.0089 -12.5932 -12.5263 -12.4543 -12.3472 -12.2563 -11.8416 -11.6150 -11.3145 -11.1731 -11.0796 -11.0764 -11.0047 -10.5739 -10.4498 -10.3031 -9.8407 -9.5863 -9.3082 -9.1952 -8.8537 -8.7375 -8.6064 0.4368 1.3581 1.7188 2.2627 2.8244 3.2620 3.6201 3.7383 4.3729 4.4434 4.5214 4.7167 4.8285 4.8988 5.0162 5.0569 5.1258 5.3085 5.3950 5.4777 5.6694 5.7350 5.7584 5.8328 5.9376 6.1092 6.1963 6.2799 6.3465 6.4516 6.5149 6.5909 6.6524 6.6942 6.8574 6.9555 7.0096 7.1251 7.3369 7.4609 7.5954 7.6437 7.9613 7.9926 8.0812 8.1520 8.2076 8.2714 8.4589 8.4977 8.5237 8.8205 8.9544 9.0589 9.1382 9.2100 9.3115 9.3491 9.5373 9.5890 9.7056 9.7551 9.9103 10.0298 10.1497 10.2069 10.3706 10.3876 10.5766 10.5994 10.7664 10.8042 10.8471 11.0389 11.1964 11.3037 11.4346 11.4960 11.6526 11.7467 11.7887 11.9349 11.9374 12.0422 12.1465 12.2134 12.4578 12.5149 12.5181 12.7596 12.8378 12.9592 13.0269 13.1790 13.2762 13.3400 13.4654 13.5153 13.6443 13.7734 14.0100 14.0309 14.1500 14.1803 14.2794 14.3493 14.4010 14.4641 14.5239 14.6071 14.6582 14.8361 14.9478 15.0051 15.0621 15.1291 15.2788 15.3296 15.4523 15.4618 15.5223 15.7518 15.7972 15.8711 15.9809 16.0820 16.2000 16.2379 16.3066 16.4254 16.5264 16.5898 16.7989 16.8495 17.0147 17.1997 17.3554 17.4267 17.4822 17.6490 17.7058 17.7690 17.8716 18.0050 18.1043 18.1345 18.3352 18.4150 18.5037 18.7209 18.7668 18.8795 19.0051 19.0986 19.2285 19.3808 19.5506 19.6603 19.9257 20.1007 20.2321 20.2809 20.3500 20.5332 20.6700 20.8629 21.1011 21.2161 21.2733 21.5154 21.6140 21.7390 21.8753 21.9041 22.0240 22.1635 22.2321 22.3023 22.4205 22.5471 22.6557 22.7164 22.8051 23.0236 23.1985 23.3384 23.3758 23.5917 23.8112 23.9452 24.1852 24.2362 24.4572 24.4887 24.7296 24.8706 24.8815 24.9264 25.0285 25.1868 25.2476 25.4297 25.5027 25.6508 25.7861 25.8363 25.9935 26.0476 26.1887 26.3841 26.5493 26.6083 26.7792 26.9032 26.9995 27.0203 27.2065 27.4068 27.4634 27.6845 27.7415 27.8013 27.8844 28.0378 28.1961 28.2689 28.4004 28.6300 28.7979 28.8826 28.9383 29.0644 29.2326 29.3729 29.4477 29.6173 29.8080 30.0192 30.1110 30.1566 30.3619 30.5818 30.6085 30.7076 30.8395 31.0790 31.1573 31.2887 31.5497 31.6187 31.8072 31.9273 31.9654 32.0393 32.1924 32.4951 32.5723 32.7564 32.9376 33.0233 33.0748 33.3315 33.4409 33.6626 33.7899 33.8221 34.0029 34.0665 34.3144 34.3722 34.4415 34.6168 34.7971 34.9339 35.2883 35.3880 35.6988 35.9267 36.0737 36.0978 36.2787 36.3720 36.5290 36.7827 36.9514 36.9765 37.3385 37.4277 37.4928 37.9092 37.9798 38.0989 38.2898 38.3985 38.5027 38.6973 38.8572 38.9570 39.0130 39.1401 39.1863 39.3660 39.6895 39.8092 39.9016 39.9914 40.1826 40.5147 40.5988 40.7757 40.9568 41.0596 41.3104 41.3510 41.6066 41.6776 41.9677 41.9845 42.1662 42.3359 42.4655 42.7321 42.8344 42.8992 43.1158 43.1593 43.3552 43.5705 43.6727 43.7700 43.9184 44.0274 44.0679 44.2129 44.2683 44.4849 44.5663 44.6157 44.8975 44.9617 45.0161 45.2685 45.4255 45.5224 45.6072 45.6291 45.8774 45.9428 46.0759 46.1537 46.3498 46.4958 46.6130 46.7312 46.9275 47.0697 47.3268 47.5257 47.5764 47.7515 47.8749 47.9629 48.0790 48.4674 48.6226 48.7176 48.8485 49.0895 49.4418 49.5871 49.6585 49.8203 49.9472 50.0076 50.4163 50.4901 50.5262 50.6136 50.7986 51.0708 51.3297 51.4523 51.6617 51.8812 52.0764 52.1235 52.4410 52.4568 52.6880 52.6954 53.0000 53.1373 53.3976 53.4624 53.6605 53.9050 54.1925 54.2435 54.4659 54.5890 54.7211 54.9435 55.0920 55.4379 55.7706 55.8014 55.8829 56.1264 56.3413 56.4163 56.9919 57.2344 57.3521 57.4621 57.5367 57.7669 57.8608 57.9527 58.1817 58.3991 58.4277 58.7272 58.8950 58.9922 59.2762 59.5413 59.7055 59.8122 59.9465 60.0845 60.1970 60.2893 60.6502 60.8278 60.9508 61.1950 61.5526 61.5919 61.8398 62.0149 62.1986 62.2399 62.6765 62.7583 62.9458 63.0974 63.2858 63.4036 63.6757 63.8421 64.0178 64.1974 64.2425 64.4554 64.7259 64.8763 65.0255 65.2949 65.4354 65.4938 65.5904 65.7931 65.8881 66.1078 66.4360 66.5929 66.6526 66.8066 66.8644 66.9816 67.1205 67.1796 67.4167 67.5237 67.6903 67.8503 68.1586 68.2806 68.7524 69.0555 69.1409 69.4771 69.7816 70.0100 70.1918 70.4107 70.5057 70.7946 70.9112 70.9957 71.1390 71.2751 71.5786 71.7767 71.8963 71.9901 72.1680 72.4092 72.6927 72.8422 73.1382 73.2381 73.6195 73.7121 73.9182 74.2307 74.4492 74.5991 74.8128 74.9431 75.0307 75.6139 75.7246 75.8313 76.2319 76.6494 76.8139 76.9310 77.1075 77.5107 77.6438 77.7462 77.8663 78.0210 78.0666 78.3796 78.4749 78.7957 78.9174 79.0868 79.2846 79.3898 79.5027 79.7919 79.9572 80.0519 80.0593 80.2753 80.4091 80.5974 80.6943 80.7963 80.9426 80.9899 81.1865 81.2158 81.3889 81.5260 81.8154 81.8591 82.0000 82.0943 82.1986 82.3906 82.4849 82.6305 82.8742 82.9338 83.0295 83.1948 83.4137 83.4296 83.6682 83.7574 84.0006 84.2592 84.2912 84.4076 84.5227 84.5773 84.8294 84.8743 84.9652 85.0532 85.2625 85.3674 85.5207 85.6814 85.7380 86.0021 86.2134 86.2986 86.5196 86.6252 86.7043 86.9112 86.9669 87.0180 87.2766 87.4305 87.4893 87.5770 87.7202 87.8803 87.9561 88.0428 88.2212 88.3335 88.3965 88.7607 88.8667 88.9238 88.9976 89.2346 89.2630 89.4529 89.4792 89.5761 89.7970 89.8666 90.0426 90.1597 90.3238 90.3845 90.7208 90.7320 90.8870 90.9660 91.0137 91.2249 91.4529 91.5254 91.5648 91.8388 92.0940 92.1785 92.2897 92.3823 92.4521 92.5794 92.8415 92.9237 93.0843 93.1568 93.3458 93.5908 93.6942 93.9661 94.0470 94.1621 94.4197 94.4550 94.5825 94.9249 95.0249 95.0713 95.0959 95.2501 95.3943 95.4430 95.5379 95.6685 95.8520 95.9574 96.0179 96.3775 96.4048 96.6912 97.0311 97.1633 97.3314 97.3810 97.4828 97.6609 97.7892 98.0282 98.1063 98.2155 98.4590 98.5852 98.7327 98.9217 98.9288 99.2007 99.3775 99.4168 99.5778 99.7444 99.8693 99.9362 100.0535 100.5379 100.6441 100.8715 100.9545 101.1557 101.2781 101.4867 101.6539 101.8152 101.8320 102.1892 102.4393 102.4718 102.6772 102.9795 103.1663 103.2629 103.6393 103.7616 103.9305 104.0934 104.2572 104.4016 104.6037 104.6989 104.9759 105.0494 105.2641 105.3113 105.3793 105.6343 105.9705 106.1762 106.4791 106.5319 106.7538 106.9969 107.1659 107.3314 107.4870 107.6808 108.0612 108.1460 108.3976 108.5515 108.9437 109.0457 109.1983 109.3005 109.4067 109.7109 110.0200 110.0629 110.3373 110.4195 110.6119 110.7811 110.8017 111.0281 111.2255 111.3472 111.6829 111.7526 111.9120 112.0691 112.3436 112.5397 112.5909 112.8562 113.2260 113.4802 113.6311 113.7360 113.9093 114.1556 114.2922 114.4011 114.5373 114.6892 114.7634 114.9665 115.0773 115.1487 115.2846 115.4181 115.5506 115.8393 116.0398 116.2776 116.3532 116.5287 116.6868 116.7665 116.9552 117.1603 117.1774 117.3586 117.5630 117.7032 117.8099 118.0181 118.1986 118.3825 118.6423 118.8317 119.0024 119.2505 119.4552 119.5666 119.6770 119.8125 120.0051 120.1885 120.2132 120.4356 120.5917 120.7780 120.8873 121.2139 121.6554 121.9941 122.1047 122.4263 122.5300 122.6275 122.7720 123.1052 123.2196 123.4294 123.9086 123.9509 124.2209 124.3790 124.6619 124.9272 125.2864 125.5211 125.8845 126.0260 126.2295 126.6532 127.1969 127.3026 127.3464 127.8436 128.4779 128.7139 129.0305 129.3019 129.4574 129.8300 130.0982 130.5641 130.7411 131.1084 131.4518 132.1904 132.4815 132.5938 132.9849 133.1497 133.2207 133.5054 133.7089 134.0652 134.3540 134.6199 134.9111 134.9687 135.5659 135.6072 135.7087 136.0591 136.2770 136.5129 136.9079 137.3010 137.6350 137.6858 137.9078 138.3014 138.7263 139.0012 139.1245 139.5506 139.7647 140.0897 140.3350 140.5083 140.7341 141.0910 141.2436 141.5663 141.6615 142.2147 142.3598 142.6551 142.8247 143.0826 143.3847 143.5147 143.6450 143.7508 143.8364 143.8853 143.9813 144.2622 144.5470 144.6295 144.6606 144.8057 144.9097 144.9445 145.1285 145.4250 145.4457 145.5186 145.6986 146.0199 146.2491 146.4302 146.5621 146.9579 147.0306 147.2994 147.4278 147.7209 147.9723 148.2198 148.2844 148.4926 148.6354 148.7778 149.0389 149.2454 149.5339 149.5619 149.8924 150.0739 150.1633 150.3450 150.3560 150.7716 150.8535 150.9487 151.2058 151.4928 151.5172 151.8397 151.9794 152.2090 152.4785 152.5411 152.7738 152.8350 153.0165 153.3377 153.5145 153.8094 153.9876 154.4723 154.7377 154.9837 155.3241 155.4921 155.6185 155.8532 155.9913 156.1167 156.6330 156.8183 156.9380 157.0679 157.3734 157.5201 157.8642 158.2793 158.8428 158.9615 159.4315 159.7105 159.9261 160.2426 160.6253 160.7613 160.7870 161.1825 161.6502 162.5723 163.7431 164.1298 164.9847 166.0489 166.7022 167.3860 167.6097 169.4194 170.1790 170.9563 171.7517 173.2639 175.3574 176.2994 176.3899 177.2195 177.5864 177.9907 178.3169 178.4998 178.9629 179.4523 179.9215 181.8773 183.2070 185.3673 185.8025 185.9541 186.3639 187.1759 187.6803 188.0727 188.2088 188.3339 188.3519 188.3978 188.6270 188.7230 188.7788 188.8385 189.0979 189.1260 189.1752 189.4083 189.4859 190.0355 190.6465 191.5168 192.0745 192.3674 192.8649 193.0974 194.4185 194.4948 194.9938 195.3564 195.5314 195.9863 196.1311 196.2065 196.6013 196.8814 197.2065 198.6386 200.0084 201.6314 202.8206 203.1569 205.0736 206.1876 206.9224 209.2527 210.2200 211.6364 213.4321 215.4560 217.1332 222.6013 224.3793 224.6925 227.6680 228.2376 228.7049 228.9723 230.2266 230.4415 232.4955 233.5125 235.4192 236.1066 239.0953 240.9341 241.3465 241.7174 244.3716 245.9890 247.0320 247.3614 248.1229 249.0255 250.3184 251.3433 260.4174 265.3809 274.1015 295.7133 298.7342 313.5248 614.8623 621.8937 623.6317 625.8758 626.9826 632.4389 633.5581 634.0333 635.5571 637.7726 642.9944 644.3613 646.0482 646.7486 647.8716 650.2188 650.7362 651.7643 715.6782 888.6833 896.8306 903.2635 907.5521 1194.5538 1199.5888 1199.8117 1200.1568 1201.6722 1558.7553 1559.9987 1565.1517 1565.1829 -1.0000000 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 Cl S F F F F O O O O O N N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H -0.070113 0.884562 -0.211116 -0.159107 -0.161782 -0.163375 -0.577910 -0.566117 -0.523888 -0.461282 -0.460811 -0.189714 -0.396412 -0.071001 -0.101723 0.076201 -0.287876 -0.267919 -0.216467 0.003165 -0.044098 0.221371 -0.123307 0.412731 0.010325 0.350117 0.231171 -0.161142 0.126183 -0.172400 -0.192869 0.536268 0.068040 0.095507 0.083652 0.097535 0.082055 0.088990 0.089770 0.108613 0.102412 0.116680 0.141240 0.138116 0.130460 0.127755 0.117584 0.139928 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 Cl S F F F F O O O O O N N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H 17.0701 15.1154 9.2111 9.1591 9.1618 9.1634 8.5779 8.5661 8.5239 8.4613 8.4608 7.1897 7.3964 7.0710 7.1017 5.9238 6.2879 6.2679 6.2165 5.9968 6.0441 5.7786 6.1233 5.5873 5.9897 5.6499 5.7688 6.1611 5.8738 6.1724 6.1929 5.4637 0.9320 0.9045 0.9163 0.9025 0.9179 0.9110 0.9102 0.8914 0.8976 0.8833 0.8588 0.8619 0.8695 0.8722 0.8824 0.8601 17.0000 16.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 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 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 -0.0701 0.8846 -0.2111 -0.1591 -0.1618 -0.1634 -0.5779 -0.5661 -0.5239 -0.4613 -0.4608 -0.1897 -0.3964 -0.0710 -0.1017 0.0762 -0.2879 -0.2679 -0.2165 0.0032 -0.0441 0.2214 -0.1233 0.4127 0.0103 0.3501 0.2312 -0.1611 0.1262 -0.1724 -0.1929 0.5363 0.0680 0.0955 0.0837 0.0975 0.0821 0.0890 0.0898 0.1086 0.1024 0.1167 0.1412 0.1381 0.1305 0.1278 0.1176 0.1399 1.2477 6.0133 1.0844 1.1515 1.1486 1.1427 1.8738 1.8896 1.9490 2.0567 2.0518 2.9184 2.6941 3.1084 3.3644 3.9164 3.9019 3.9098 3.9344 3.5078 3.6182 4.4630 4.0940 4.2319 3.9712 4.2196 4.1400 3.8766 3.8625 4.0541 3.8600 4.4180 1.0315 1.0072 0.9972 1.0267 1.0056 1.0156 1.0039 0.9896 1.0001 1.0144 1.0277 1.0218 1.0174 1.0070 1.0115 0.9876 1.2477 6.0133 1.0844 1.1515 1.1486 1.1427 1.8738 1.8896 1.9490 2.0567 2.0518 2.9184 2.6941 3.1084 3.3644 3.9164 3.9019 3.9098 3.9344 3.5078 3.6182 4.4630 4.0940 4.2319 3.9712 4.2196 4.1400 3.8766 3.8625 4.0541 3.8600 4.4180 1.0315 1.0072 0.9972 1.0267 1.0056 1.0156 1.0039 0.9896 1.0001 1.0144 1.0277 1.0218 1.0174 1.0070 1.0115 0.9876 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 1.0627 1.7601 1.7686 1.0807 1.1906 1.0358 1.1491 1.1311 1.1255 1.9252 1.8938 1.8963 0.9126 0.9144 1.4866 0.8035 1.1495 1.0970 1.1534 1.2108 0.8938 0.9493 0.9528 0.9986 0.9948 0.9808 0.9894 0.9826 0.9969 0.9926 0.9721 0.9853 0.9834 1.3964 1.3881 0.8704 1.4432 1.3313 0.9610 1.6643 0.9850 1.1297 1.5004 0.9628 1.3723 0.9724 0.9701 0.9713 0.9755 0 28 1 6 1 7 1 11 1 12 2 26 3 31 4 31 5 31 8 21 9 23 10 25 11 15 11 18 12 21 13 19 13 23 13 25 14 23 14 24 14 30 15 16 15 17 15 32 16 33 16 34 16 35 17 36 17 37 17 38 18 39 18 40 18 41 19 22 19 26 20 21 20 22 20 28 22 42 24 27 24 31 25 27 26 29 27 43 28 29 29 44 30 45 30 46 30 47 -0.029299333 -2510.785072230281 -54.26888 59.49590 5.22701 18.30293 -17.86255 0.44037 18.28078 -15.25722 3.02356 6.05454 15.38942