Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 Cl F F F O O O N N C C C C C C 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 1 2 2 2 3 3 3 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 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:.0194,1.6652,-2.3843;-2.9574,.0256,2.4732;-3.1611,2.1282,2.8442;-3.8805,1.2902,.9969;2.7795,-.3097,.1382;4.6384,.1278,1.2917;-1.9795,-1.9822,.1864;2.2109,2.1768,-.43;2.8394,-2.1429,3.0197;4.6455,2.5242,-.5352;3.452,1.9657,.2634;4.8569,1.8199,-1.8715;4.5087,4.0296,-.7186;3.7096,.507,.6261;.9956,1.9181,.1366;2.844,-1.697,.4403;-.1427,1.6966,-.6554;.8064,1.8841,1.5264;1.6071,-2.3268,-.1481;-1.5515,1.4755,1.2664;-1.3933,1.4874,-.1111;-.4381,1.667,2.078;.3576,-1.8605,.2476;1.7164,-3.3411,-1.0854;-2.8832,1.2319,1.8853;-.7813,-2.4281,-.2947;2.8653,-1.9167,1.8921;.5626,-3.9014,-1.6199;-.6885,-3.4558,-1.2287;-3.0361,-1.7589,-.6564;-4.3027,-1.985,-.1357;-2.8754,-1.2675,-1.946;-5.4184,-1.7129,-.9132;-4.002,-1.0106,-2.7154;-5.2749,-1.2296,-2.2068;5.5257,2.3418,.0859;3.439,2.5051,1.2151;4.0402,1.9986,-2.5742;4.9769,.7406,-1.7632;5.7637,2.1972,-2.3446;3.6822,4.2856,-1.3816;5.4192,4.4374,-1.1582;4.3461,4.5349,.2345;2.2603,2.027,-1.4268;3.7478,-2.1442,.0162;1.6434,2.0357,2.1934;-2.2321,1.3307,-.7754;-.5273,1.653,3.1565;.2601,-1.068,.9816;2.6908,-3.6947,-1.3958;.6391,-4.6993,-2.3459;-1.5792,-3.9107,-1.6426;-4.4122,-2.3665,.8713;-1.8904,-1.0719,-2.3506;-6.4048,-1.8872,-.5042;-3.8778,-.6285,-3.72;-6.1472,-1.0234,-2.8122; 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 1959 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 260 Dim 1404 ENuc 4126.4691523139 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 4.635e-06 Time for diagonalization 0.388 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.357 sec Total time needed 0.753 sec 17 9 9 9 8 8 8 7 7 6 6 6 6 6 6 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 1 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:.0194,1.6652,-2.3843;-2.9574,.0256,2.4732;-3.1611,2.1282,2.8442;-3.8805,1.2902,.9969;2.7795,-.3097,.1382;4.6384,.1278,1.2917;-1.9795,-1.9822,.1864;2.2109,2.1768,-.43;2.8394,-2.1429,3.0197;4.6455,2.5242,-.5352;3.452,1.9657,.2634;4.8569,1.8199,-1.8715;4.5087,4.0296,-.7186;3.7096,.507,.6261;.9956,1.9181,.1366;2.844,-1.697,.4403;-.1427,1.6966,-.6554;.8064,1.8841,1.5264;1.6071,-2.3268,-.1481;-1.5515,1.4755,1.2664;-1.3933,1.4874,-.1111;-.4381,1.667,2.078;.3576,-1.8605,.2476;1.7164,-3.3411,-1.0854;-2.8832,1.2319,1.8853;-.7813,-2.4281,-.2947;2.8653,-1.9167,1.8921;.5626,-3.9014,-1.6199;-.6885,-3.4558,-1.2287;-3.0361,-1.7589,-.6564;-4.3027,-1.985,-.1357;-2.8754,-1.2675,-1.946;-5.4184,-1.7129,-.9132;-4.002,-1.0106,-2.7154;-5.2749,-1.2296,-2.2068;5.5257,2.3418,.0859;3.439,2.5051,1.2151;4.0402,1.9986,-2.5742;4.9769,.7406,-1.7632;5.7637,2.1972,-2.3446;3.6822,4.2856,-1.3816;5.4192,4.4374,-1.1582;4.3461,4.5349,.2345;2.2603,2.027,-1.4268;3.7478,-2.1442,.0162;1.6434,2.0357,2.1934;-2.2321,1.3307,-.7754;-.5273,1.653,3.1565;.2601,-1.068,.9816;2.6908,-3.6947,-1.3958;.6391,-4.6993,-2.3459;-1.5792,-3.9107,-1.6426;-4.4122,-2.3665,.8713;-1.8904,-1.0719,-2.3506;-6.4048,-1.8872,-.5042;-3.8778,-.6285,-3.72;-6.1472,-1.0234,-2.8122; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:.0194,1.6652,-2.3843;-2.9574,.0256,2.4732;-3.1611,2.1282,2.8442;-3.8805,1.2902,.9969;2.7795,-.3097,.1382;4.6384,.1278,1.2917;-1.9795,-1.9822,.1864;2.2109,2.1768,-.43;2.8394,-2.1429,3.0197;4.6455,2.5242,-.5352;3.452,1.9657,.2634;4.8569,1.8199,-1.8715;4.5087,4.0296,-.7186;3.7096,.507,.6261;.9956,1.9181,.1366;2.844,-1.697,.4403;-.1427,1.6966,-.6554;.8064,1.8841,1.5264;1.6071,-2.3268,-.1481;-1.5515,1.4755,1.2664;-1.3933,1.4874,-.1111;-.4381,1.667,2.078;.3576,-1.8605,.2476;1.7164,-3.3411,-1.0854;-2.8832,1.2319,1.8853;-.7813,-2.4281,-.2947;2.8653,-1.9167,1.8921;.5626,-3.9014,-1.6199;-.6885,-3.4558,-1.2287;-3.0361,-1.7589,-.6564;-4.3027,-1.985,-.1357;-2.8754,-1.2675,-1.946;-5.4184,-1.7129,-.9132;-4.002,-1.0106,-2.7154;-5.2749,-1.2296,-2.2068;5.5257,2.3418,.0859;3.439,2.5051,1.2151;4.0402,1.9986,-2.5742;4.9769,.7406,-1.7632;5.7637,2.1972,-2.3446;3.6822,4.2856,-1.3816;5.4192,4.4374,-1.1582;4.3461,4.5349,.2345;2.2603,2.027,-1.4268;3.7478,-2.1442,.0162;1.6434,2.0357,2.1934;-2.2321,1.3307,-.7754;-.5273,1.653,3.1565;.2601,-1.068,.9816;2.6908,-3.6947,-1.3958;.6391,-4.6993,-2.3459;-1.5792,-3.9107,-1.6426;-4.4122,-2.3665,.8713;-1.8904,-1.0719,-2.3506;-6.4048,-1.8872,-.5042;-3.8778,-.6285,-3.72;-6.1472,-1.0234,-2.8122; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3280 GEPOL Volume 3332.4860 GEPOL Surface-area 1827.1708 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -2099.11949140 4126.46915231 -6225.58864371 -11087.75198511 4862.16334140 -0.04706424 -4190.92026716 2091.80077576 2.00349876 130.000117352348 130.000117352348 260.000234704696 -173.916344221428 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 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.4814 -675.4200 -675.3210 -675.2835 -525.4004 -524.6765 -523.5987 -393.0538 -392.9326 -286.5206 -283.7662 -282.9130 -281.7119 -281.5643 -281.5198 -281.4931 -281.3135 -281.1809 -280.5648 -280.3571 -280.2798 -280.1949 -279.9935 -279.9923 -279.9880 -279.9603 -279.9398 -279.9121 -279.8182 -279.7992 -279.7660 -279.7075 -279.6144 -279.1932 -279.1057 -260.7488 -199.5811 -199.3481 -199.3460 -39.1645 -36.6821 -36.5526 -34.3800 -33.0098 -31.7399 -29.5537 -28.4597 -27.6256 -27.2368 -26.6611 -26.4781 -25.5964 -25.2915 -24.2784 -24.2521 -23.6814 -23.5304 -23.4153 -23.0779 -22.6900 -21.9722 -21.7366 -20.6229 -20.4192 -20.1690 -20.1240 -20.0651 -19.6798 -19.1566 -19.1462 -19.0243 -18.4211 -18.3184 -18.0733 -17.8677 -17.7234 -17.3606 -16.9340 -16.7081 -16.2457 -16.1584 -16.0514 -15.8446 -15.8088 -15.7252 -15.4451 -15.2785 -15.2211 -15.0956 -14.9218 -14.8240 -14.7312 -14.6764 -14.5636 -14.4942 -14.3209 -14.2759 -14.1734 -14.1680 -14.0706 -13.9595 -13.8394 -13.6733 -13.4741 -13.1961 -13.0493 -12.9687 -12.8727 -12.8072 -12.6528 -12.4895 -12.4331 -12.3673 -12.2846 -12.1438 -11.9628 -11.8641 -11.7755 -11.7638 -11.7042 -11.6597 -11.5201 -11.3992 -10.6197 -9.7147 -9.5033 -9.4782 -9.4041 -8.5194 -8.2025 0.8845 1.2277 1.3588 1.4332 1.7077 1.9171 2.0258 2.4744 2.9590 2.9971 3.2543 3.5619 3.6829 3.9431 4.0715 4.1355 4.4325 4.4538 4.5425 4.7313 4.7376 4.8975 4.9979 5.1246 5.2219 5.3080 5.3671 5.5087 5.5550 5.7653 5.8279 5.9791 6.0670 6.1441 6.2041 6.2379 6.3400 6.3719 6.4700 6.6102 6.6605 6.8236 6.9641 7.1157 7.1578 7.2926 7.3888 7.4669 7.4814 7.6570 7.6739 7.8204 7.8846 7.9439 7.9698 8.0572 8.1250 8.2602 8.3107 8.3557 8.4839 8.5173 8.5898 8.6604 8.7540 8.8057 8.9695 8.9907 9.0171 9.1529 9.2338 9.3189 9.4305 9.4828 9.6285 9.7230 9.8627 9.9528 10.0083 10.0759 10.1648 10.3070 10.3480 10.5209 10.5932 10.6230 10.7767 10.8524 10.9153 10.9429 10.9845 11.0826 11.1809 11.2690 11.2825 11.3833 11.5254 11.5872 11.6425 11.7500 11.9310 12.0759 12.0991 12.1712 12.2232 12.3354 12.3823 12.5803 12.6067 12.6416 12.7734 12.8711 12.9134 13.0594 13.1076 13.2221 13.2986 13.3581 13.4168 13.5234 13.5887 13.6349 13.6982 13.8140 13.8355 14.0549 14.1006 14.1344 14.2177 14.3206 14.4256 14.4789 14.5253 14.5748 14.7048 14.8193 14.8397 14.8812 14.9690 15.0522 15.1588 15.2982 15.3514 15.4110 15.5102 15.5752 15.6935 15.7112 15.8752 15.9226 16.0373 16.0719 16.1093 16.1674 16.3278 16.4018 16.4565 16.5204 16.7250 16.7560 16.7999 16.8793 17.0829 17.1023 17.2112 17.3799 17.4451 17.6286 17.8322 17.8996 18.0297 18.0992 18.1405 18.2467 18.3670 18.5007 18.6808 18.7286 18.8226 19.0371 19.1438 19.1669 19.2899 19.4928 19.5376 19.5833 19.7539 19.9223 19.9500 20.0368 20.1546 20.2145 20.3689 20.4466 20.6084 20.6921 20.8077 20.9180 20.9614 21.0198 21.1447 21.3229 21.4209 21.4437 21.5701 21.6099 21.8107 21.8693 21.9249 21.9895 22.1073 22.1975 22.2469 22.4625 22.5774 22.6106 22.8292 22.9210 23.0681 23.1754 23.2361 23.3021 23.4821 23.5695 23.6798 23.9120 23.9254 23.9826 24.0265 24.2739 24.3123 24.3871 24.4476 24.6154 24.6621 24.7857 24.9292 25.0772 25.2769 25.4061 25.4898 25.5790 25.6349 25.8455 26.0052 26.0944 26.1581 26.2212 26.3228 26.4381 26.5809 26.7654 26.8647 26.9588 27.0216 27.1390 27.3572 27.4678 27.6518 27.7412 27.8204 27.9669 28.0948 28.1545 28.2421 28.3381 28.4197 28.4817 28.7056 28.7448 28.8989 28.9953 29.1020 29.2021 29.2238 29.4428 29.5119 29.6621 29.7404 29.7887 29.9862 30.1079 30.1706 30.2741 30.3823 30.4252 30.5431 30.6255 30.8504 30.9721 31.0842 31.2067 31.2861 31.4619 31.4787 31.6375 31.7470 31.9753 32.1032 32.3032 32.4059 32.4942 32.6373 32.7366 32.7645 32.8368 32.9566 33.1162 33.2277 33.2358 33.4135 33.6806 33.7980 33.8925 33.9252 34.0646 34.0926 34.1146 34.2998 34.5213 34.5817 34.7449 34.8291 34.9454 35.0199 35.2616 35.3327 35.4043 35.5155 35.5949 35.6359 35.8208 36.0569 36.0835 36.2151 36.4227 36.6145 36.6714 36.7461 36.8828 36.8958 37.0454 37.2048 37.3109 37.4160 37.5252 37.6617 37.7714 37.9712 38.0292 38.1902 38.3010 38.3567 38.5553 38.6229 38.7389 38.7999 38.8903 39.0662 39.1195 39.1509 39.2337 39.3943 39.5282 39.5698 39.7209 39.8301 39.9851 40.1190 40.3747 40.4702 40.5486 40.7200 40.7511 40.8921 40.9888 41.0672 41.1529 41.2065 41.4332 41.4659 41.5546 41.6743 41.8251 41.9947 42.1225 42.1747 42.4372 42.5846 42.6788 42.7680 42.9595 43.0137 43.1105 43.2305 43.4034 43.5266 43.6685 43.7913 43.8778 43.9856 44.0731 44.1341 44.1816 44.3295 44.5749 44.6772 44.7873 44.9543 45.1126 45.2232 45.3590 45.5116 45.5953 45.7191 45.8838 45.9677 46.2252 46.3893 46.4802 46.6109 46.6338 46.7383 46.9695 47.1484 47.2491 47.2908 47.4622 47.6439 47.7829 47.8406 48.0022 48.1245 48.2170 48.3107 48.3946 48.5566 48.6002 48.7033 48.7989 49.0416 49.2106 49.3912 49.4962 49.5459 49.7883 49.8754 50.0033 50.1741 50.2858 50.4514 50.4958 50.7380 51.0457 51.1407 51.2379 51.3211 51.5580 51.7240 51.9527 52.0173 52.2415 52.3349 52.5857 52.7105 52.7614 52.9185 53.1204 53.1976 53.3131 53.5460 53.6358 53.8968 54.1430 54.2070 54.3167 54.7178 55.0225 55.1550 55.3392 55.4657 55.4963 55.6758 55.8507 56.0873 56.2367 56.3367 56.5961 56.6418 56.8408 56.9412 57.0170 57.1681 57.2839 57.3477 57.5711 57.6649 57.8068 58.1021 58.3133 58.3741 58.5072 58.7015 58.9486 59.0186 59.3721 59.4582 59.6305 59.7086 59.9987 60.1360 60.3189 60.4405 60.6452 60.7033 60.7347 60.8343 60.8572 61.1005 61.3506 61.5131 61.7715 61.9047 62.2477 62.3291 62.7252 62.7933 62.9143 63.3324 63.4127 63.5513 63.7252 63.9886 64.1574 64.2824 64.4121 64.5361 64.6069 64.7115 64.8849 64.9392 65.2584 65.3256 65.5470 65.6310 65.8108 65.9167 66.0900 66.2667 66.4431 66.6622 66.7674 66.9411 66.9932 67.0825 67.2566 67.4610 67.5271 67.7055 67.8381 67.8712 67.8999 68.2306 68.3222 68.5972 68.7911 68.8466 69.2416 69.3664 69.6775 69.7443 70.0427 70.3597 70.5228 70.5809 70.6597 70.8985 71.2879 71.4236 71.7355 71.8810 72.1719 72.3054 72.5741 72.7270 72.8412 72.9490 73.2908 73.4065 73.9105 74.1191 74.3495 74.5638 74.6752 74.9445 75.0938 75.1430 75.2936 75.3878 75.7472 75.8581 76.0425 76.1737 76.3414 76.3893 76.5017 76.6286 76.7842 76.9180 77.0610 77.1919 77.2897 77.5200 77.5800 77.8352 77.9452 77.9799 78.0682 78.1428 78.4755 78.6113 78.7203 78.8287 79.0719 79.1087 79.2721 79.4138 79.4655 79.5523 79.6518 79.8031 79.9177 79.9556 80.1067 80.1758 80.2911 80.3583 80.3954 80.7767 80.8138 80.9528 81.1257 81.1740 81.3323 81.5254 81.6611 81.7524 81.8416 81.8827 82.0490 82.2528 82.3012 82.4346 82.4655 82.6158 82.8071 83.0184 83.1013 83.2051 83.2233 83.3461 83.4255 83.6849 83.7668 83.8350 84.0905 84.1107 84.2106 84.3219 84.3549 84.5106 84.7713 84.8738 84.9221 85.0093 85.1958 85.3839 85.3876 85.4534 85.5021 85.5780 85.7953 85.8364 85.9262 85.9840 86.0081 86.0939 86.1535 86.2439 86.3988 86.5187 86.5816 86.7007 86.8150 86.8939 87.0891 87.3033 87.4105 87.4956 87.6029 87.6867 87.8223 87.9306 88.0360 88.1538 88.2860 88.3667 88.5404 88.6239 88.6838 88.8379 88.9278 89.0246 89.1033 89.2071 89.3085 89.3499 89.3791 89.5104 89.6410 89.7123 89.7639 89.8268 89.9193 90.0760 90.2316 90.3372 90.4351 90.5324 90.6488 90.7288 90.7830 91.0218 91.0449 91.1691 91.2682 91.4131 91.4900 91.6382 91.9035 91.9913 92.1796 92.2908 92.3640 92.4612 92.4985 92.6781 92.7544 92.9409 92.9912 93.1251 93.1685 93.2795 93.3720 93.4018 93.5776 93.6399 93.7523 93.7717 93.8802 93.9941 94.1658 94.3728 94.4520 94.5642 94.7332 94.7377 94.8954 94.9699 95.1634 95.3098 95.3429 95.4146 95.4696 95.6994 95.7632 95.7890 95.9056 96.0287 96.2283 96.3378 96.4958 96.6305 96.7218 96.8575 96.9192 97.0061 97.1510 97.2564 97.3551 97.3998 97.4842 97.6627 97.8808 97.9481 98.0657 98.2132 98.2699 98.4021 98.5207 98.6282 98.6884 98.7653 98.8661 98.9197 99.0816 99.1586 99.4499 99.5360 99.5645 99.7226 99.9945 100.0578 100.1622 100.2386 100.5089 100.6057 100.6864 100.8256 100.9311 101.0903 101.1918 101.3568 101.4924 101.6507 101.9009 102.0097 102.3747 102.6578 102.7893 102.8732 102.9669 103.0960 103.2704 103.3994 103.6040 103.6889 103.9499 104.0488 104.0803 104.1500 104.3038 104.5661 104.6804 104.7726 104.9412 105.1054 105.3840 105.4056 105.5917 105.6803 105.8251 105.9224 106.0417 106.1342 106.2023 106.3207 106.3602 106.5945 106.7784 106.9174 106.9848 107.0595 107.1338 107.2453 107.4474 107.5601 107.6305 107.7394 107.8520 108.0918 108.2015 108.3713 108.5259 108.6198 108.7350 108.8526 108.8969 109.0897 109.2962 109.3591 109.4325 109.6388 109.7915 109.9150 110.0574 110.1459 110.2234 110.3259 110.4506 110.5835 110.7903 110.8583 111.0407 111.0685 111.2469 111.3388 111.3731 111.6308 111.6751 111.9849 112.0577 112.2799 112.4578 112.6830 112.7233 112.8747 112.9667 113.2867 113.3997 113.4466 113.7238 113.8526 114.0512 114.0984 114.4193 114.5302 114.6114 114.8432 114.8806 114.9591 115.1277 115.3251 115.4705 115.5763 115.6359 115.6818 116.0014 116.0553 116.2295 116.3890 116.3988 116.6345 116.7049 116.8894 117.0252 117.0894 117.2853 117.4040 117.5799 117.5977 117.8580 117.9889 118.0638 118.1628 118.2620 118.3554 118.4862 118.5807 118.6267 118.6950 118.7962 118.9468 119.1945 119.4052 119.4467 119.5654 119.7538 119.8298 119.9464 119.9909 120.0714 120.1778 120.5237 120.5936 120.7036 120.7653 120.8373 121.0690 121.2193 121.4136 121.5926 121.9036 121.9341 121.9939 122.0875 122.3060 122.5609 122.6935 122.8907 123.0562 123.1126 123.2907 123.5800 123.8308 124.2093 124.4962 124.7455 124.8036 125.0275 125.4171 125.7326 125.9065 125.9873 126.1726 126.3815 126.5573 126.6337 126.7078 126.9625 127.0903 127.3268 127.3388 127.8198 128.0701 128.2001 128.3105 128.7171 128.8514 129.2066 129.3849 129.6041 129.7113 129.9128 130.0431 130.1257 130.2698 130.4533 130.5230 130.7911 131.0149 131.1536 131.2060 131.4474 131.5980 131.8112 132.0384 132.2295 132.4508 132.6071 132.6599 132.8426 132.8749 133.0095 133.3001 133.6502 133.7785 134.0322 134.1021 134.3847 134.6099 134.9599 135.1345 135.5505 135.6269 135.7909 136.0958 136.2661 136.4755 136.7334 136.9322 137.1609 137.2367 137.5173 137.6338 138.0657 138.1076 138.4562 138.5944 138.8168 139.1276 139.4464 139.6828 139.8973 140.3986 140.6667 140.9725 141.1194 141.2019 141.5598 141.6830 141.8240 142.1250 142.4843 142.7452 143.3476 143.4584 143.6749 144.1474 144.3777 144.4414 144.5709 144.7316 144.8400 145.0380 145.4500 145.8334 146.0315 146.1162 146.3805 146.4973 146.8106 146.8460 147.3234 147.4322 147.6698 147.9680 148.0668 148.2289 148.4558 148.5923 148.8178 148.9642 149.0592 149.0899 149.5009 149.6374 149.8281 150.0474 150.2330 150.4419 150.7650 150.9800 151.2793 151.6232 151.9331 152.3378 152.4933 152.8716 153.1665 153.3960 153.4948 153.9126 154.3911 154.8260 154.9590 155.1398 155.3149 155.4877 155.7715 156.1927 156.4898 156.6413 156.8231 157.1402 157.3114 157.5864 157.6825 158.2646 158.4795 158.4998 158.6230 159.1521 159.4374 159.9059 160.0443 160.1193 160.5790 161.0513 161.2672 161.7507 161.9538 162.4017 162.7365 163.0469 163.3180 164.4646 164.6660 166.0325 167.2035 167.4170 168.7790 170.0598 170.4446 171.5982 172.2081 172.2490 172.5906 173.2248 174.3439 174.8239 176.6020 177.1989 178.0312 178.3644 179.6125 180.9757 181.4106 185.8310 186.7794 187.4265 187.5369 187.9276 188.2174 188.6493 188.7555 188.8888 188.9503 189.1235 189.1930 189.3365 189.7562 189.7945 190.2185 192.1783 192.2307 192.5561 192.6324 193.3293 193.9250 194.8161 195.3300 195.6060 195.8318 196.8324 198.3093 202.6183 202.9134 203.2122 205.2481 206.2073 206.3088 207.5574 207.8729 209.3675 210.1735 222.4472 224.3974 224.6730 228.0727 228.2783 228.9800 229.1803 230.2131 233.0341 233.4899 236.0623 238.8909 241.0778 241.5266 244.7672 246.2689 247.6153 248.2068 250.7756 252.4320 295.7355 299.5277 313.4833 618.6927 619.8964 620.9646 625.9338 629.5141 631.3282 631.6468 632.0434 633.6738 634.0657 634.3028 634.6473 635.4029 635.5634 636.0421 636.8523 637.2684 637.6488 638.1719 642.8452 644.2251 646.2611 649.4825 654.6492 657.7145 658.3447 716.2236 877.9522 906.4269 1199.7344 1214.3411 1216.7321 1558.4424 1563.2372 1565.0083 -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 52 53 54 55 56 Cl F F F O O O N N C C C C C C 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 -0.101521 -0.190447 -0.188032 -0.186880 -0.244930 -0.444227 -0.331059 -0.249171 -0.092609 0.069394 0.120448 -0.300266 -0.305364 0.350953 0.148273 0.398034 0.035827 -0.211578 0.014420 -0.081422 -0.151525 -0.163584 -0.279341 -0.168094 0.580484 0.234564 -0.232927 -0.134386 -0.170460 0.353340 -0.296824 -0.230477 -0.107217 -0.140075 -0.192760 0.056054 0.134178 0.082819 0.096766 0.103750 0.083408 0.100700 0.095473 0.160366 0.140873 0.145356 0.140645 0.145961 0.156504 0.148746 0.163503 0.158345 0.145229 0.147220 0.161011 0.161596 0.160935 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 Cl F F F O O O N N C C C C C C 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 17.1015 9.1904 9.1880 9.1869 8.2449 8.4442 8.3311 7.2492 7.0926 5.9306 5.8796 6.3003 6.3054 5.6490 5.8517 5.6020 5.9642 6.2116 5.9856 6.0814 6.1515 6.1636 6.2793 6.1681 5.4195 5.7654 6.2329 6.1344 6.1705 5.6467 6.2968 6.2305 6.1072 6.1401 6.1928 0.9439 0.8658 0.9172 0.9032 0.8962 0.9166 0.8993 0.9045 0.8396 0.8591 0.8546 0.8594 0.8540 0.8435 0.8513 0.8365 0.8417 0.8548 0.8528 0.8390 0.8384 0.8391 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 -0.1015 -0.1904 -0.1880 -0.1869 -0.2449 -0.4442 -0.3311 -0.2492 -0.0926 0.0694 0.1204 -0.3003 -0.3054 0.3510 0.1483 0.3980 0.0358 -0.2116 0.0144 -0.0814 -0.1515 -0.1636 -0.2793 -0.1681 0.5805 0.2346 -0.2329 -0.1344 -0.1705 0.3533 -0.2968 -0.2305 -0.1072 -0.1401 -0.1928 0.0561 0.1342 0.0828 0.0968 0.1038 0.0834 0.1007 0.0955 0.1604 0.1409 0.1454 0.1406 0.1460 0.1565 0.1487 0.1635 0.1583 0.1452 0.1472 0.1610 0.1616 0.1609 1.2274 1.0939 1.1095 1.1136 2.1814 2.0624 2.0310 3.2081 3.1083 3.8126 3.8973 3.9511 3.9409 4.1967 3.8617 3.7529 3.8451 3.8959 3.7118 3.5919 3.9605 4.0246 4.0164 3.9299 4.3989 3.8282 4.0497 3.8985 3.9244 3.4765 4.0107 3.8765 3.8645 3.9045 3.9100 1.0309 0.9994 1.0034 1.0109 1.0016 1.0124 1.0032 1.0037 1.0379 1.0110 1.0054 1.0107 1.0082 1.0122 1.0010 0.9895 0.9957 1.0126 1.0110 0.9876 0.9890 0.9891 1.2274 1.0939 1.1095 1.1136 2.1814 2.0624 2.0310 3.2081 3.1083 3.8126 3.8973 3.9511 3.9409 4.1967 3.8617 3.7529 3.8451 3.8959 3.7118 3.5919 3.9605 4.0246 4.0164 3.9299 4.3989 3.8282 4.0497 3.8985 3.9244 3.4765 4.0107 3.8765 3.8645 3.9045 3.9100 1.0309 0.9994 1.0034 1.0109 1.0016 1.0124 1.0032 1.0037 1.0379 1.0110 1.0054 1.0107 1.0082 1.0122 1.0010 0.9895 0.9957 1.0126 1.0110 0.9876 0.9890 0.9891 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.0404 1.1044 1.1350 1.1077 1.1737 0.9073 1.9043 0.9744 0.8789 0.9262 1.2105 0.9641 3.0526 0.9064 0.9408 0.9347 1.0049 0.9951 0.9729 0.9828 0.9897 0.9904 0.9901 0.9976 0.9950 1.2582 1.2682 0.9067 0.9172 0.9564 1.4367 1.4903 0.9905 1.3552 1.3647 1.3160 1.3474 1.0167 0.9755 0.9889 1.4466 0.9537 1.4227 0.9855 1.3534 1.4290 0.9778 0.9718 1.3553 1.2853 1.4299 0.9983 1.4259 0.9946 1.4003 0.9810 1.4187 0.9787 0.9838 0 16 1 24 2 24 3 24 4 13 4 15 5 13 6 25 6 29 7 10 7 14 7 43 8 26 9 10 9 11 9 12 9 35 10 13 10 36 11 37 11 38 11 39 12 40 12 41 12 42 14 16 14 17 15 18 15 26 15 44 16 20 17 21 17 45 18 22 18 23 19 20 19 21 19 24 20 46 21 47 22 25 22 48 23 27 23 49 25 28 27 28 27 50 28 51 29 30 29 31 30 32 30 52 31 33 31 53 32 34 32 54 33 34 33 55 34 56 -0.038925291 -2099.158416687566 29.66325 -28.51163 1.15161 1.47957 -1.11304 0.36653 -19.04588 15.79266 -3.25322 3.47045 8.82118