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:-.5778,1.4351,-2.3013;-2.8941,.3636,2.9562;-2.9885,2.4776,3.3184;-4.0115,1.6325,1.6279;2.5863,-.3207,.015;3.7793,.5153,1.7063;-1.3034,-2.6867,-2.2948;1.8513,2.1506,-.7307;.9743,-1.2626,2.8362;4.2424,2.0148,-1.2268;3.1551,1.968,-.1364;4.2116,3.3614,-1.9413;5.6287,1.7575,-.6469;3.2301,.6641,.6469;.71,2.0176,.0121;2.4366,-1.5653,.6848;-.5182,1.6909,-.5855;.6975,2.2227,1.399;1.7384,-2.5041,-.2632;-1.6603,1.7532,1.519;-1.6812,1.5546,.1447;-.4609,2.087,2.1363;.5077,-2.1383,-.7977;2.3376,-3.7055,-.6081;-2.886,1.5614,2.3449;-.1234,-2.9996,-1.6807;1.6303,-1.3762,1.898;1.6936,-4.5546,-1.4983;.4638,-4.21,-2.0324;-2.3098,-2.0389,-1.6219;-3.1021,-1.1834,-2.3741;-2.5918,-2.2742,-.2818;-4.1982,-.5725,-1.7833;-3.6828,-1.6425,.2992;-4.4948,-.7985,-.4462;4.0186,1.227,-1.9547;3.3631,2.7691,.5783;3.2613,3.5518,-2.4386;4.9895,3.3937,-2.7046;4.3969,4.1794,-1.2422;5.748,.7458,-.2579;5.8608,2.4603,.1555;6.3809,1.8864,-1.4254;1.7875,1.8006,-1.6765;3.4048,-1.9762,.984;1.6036,2.507,1.9162;-2.5943,1.2915,-.3728;-.4116,2.2533,3.2045;.0497,-1.1945,-.5233;3.2984,-3.9752,-.1896;2.1516,-5.4946,-1.7751;-.0407,-4.8716,-2.725;-2.8664,-1.0069,-3.4157;-1.9832,-2.9471,.3089;-4.8175,.0899,-2.3738;-3.9046,-1.8302,1.3412;-5.3506,-.3207,.0099; 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 4148.8541273406 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 4.651e-06 Time for diagonalization 0.362 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.353 sec Total time needed 0.723 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:-.5778,1.4351,-2.3013;-2.8941,.3636,2.9562;-2.9885,2.4776,3.3184;-4.0115,1.6325,1.6279;2.5863,-.3207,.015;3.7793,.5153,1.7063;-1.3034,-2.6867,-2.2948;1.8513,2.1506,-.7307;.9743,-1.2626,2.8362;4.2424,2.0148,-1.2268;3.1551,1.968,-.1364;4.2116,3.3614,-1.9413;5.6287,1.7575,-.6469;3.2301,.6641,.6469;.71,2.0176,.0121;2.4366,-1.5653,.6848;-.5182,1.6909,-.5855;.6975,2.2227,1.399;1.7384,-2.5041,-.2632;-1.6603,1.7532,1.519;-1.6812,1.5546,.1447;-.4609,2.087,2.1363;.5077,-2.1383,-.7977;2.3376,-3.7055,-.6081;-2.886,1.5614,2.3449;-.1234,-2.9996,-1.6807;1.6303,-1.3762,1.898;1.6936,-4.5546,-1.4983;.4638,-4.21,-2.0324;-2.3098,-2.0389,-1.6219;-3.1021,-1.1834,-2.3741;-2.5918,-2.2742,-.2818;-4.1982,-.5725,-1.7833;-3.6828,-1.6425,.2992;-4.4948,-.7985,-.4462;4.0186,1.227,-1.9547;3.3631,2.7691,.5783;3.2613,3.5518,-2.4386;4.9895,3.3938,-2.7046;4.3969,4.1794,-1.2422;5.748,.7458,-.2579;5.8608,2.4603,.1555;6.3809,1.8864,-1.4254;1.7875,1.8006,-1.6765;3.4048,-1.9762,.984;1.6036,2.507,1.9162;-2.5943,1.2915,-.3728;-.4116,2.2533,3.2045;.0497,-1.1945,-.5233;3.2984,-3.9752,-.1896;2.1516,-5.4946,-1.7751;-.0407,-4.8716,-2.725;-2.8664,-1.0069,-3.4157;-1.9832,-2.9471,.3089;-4.8175,.0899,-2.3738;-3.9046,-1.8302,1.3412;-5.3506,-.3207,.0099; 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:-.5778,1.4351,-2.3013;-2.8941,.3636,2.9562;-2.9885,2.4776,3.3184;-4.0115,1.6325,1.6279;2.5863,-.3207,.015;3.7793,.5153,1.7063;-1.3034,-2.6867,-2.2948;1.8513,2.1506,-.7307;.9743,-1.2626,2.8362;4.2424,2.0148,-1.2268;3.1551,1.968,-.1364;4.2116,3.3614,-1.9413;5.6287,1.7575,-.6469;3.2301,.6641,.6469;.71,2.0176,.0121;2.4366,-1.5653,.6848;-.5182,1.6909,-.5855;.6975,2.2227,1.399;1.7384,-2.5041,-.2632;-1.6603,1.7532,1.519;-1.6812,1.5546,.1447;-.4609,2.087,2.1363;.5077,-2.1383,-.7977;2.3376,-3.7055,-.6081;-2.886,1.5614,2.3449;-.1234,-2.9996,-1.6807;1.6303,-1.3762,1.898;1.6936,-4.5546,-1.4983;.4638,-4.21,-2.0324;-2.3098,-2.0389,-1.6219;-3.1021,-1.1834,-2.3741;-2.5918,-2.2742,-.2818;-4.1982,-.5725,-1.7833;-3.6828,-1.6425,.2992;-4.4948,-.7985,-.4462;4.0186,1.227,-1.9547;3.3631,2.7691,.5783;3.2613,3.5518,-2.4386;4.9895,3.3937,-2.7046;4.3969,4.1794,-1.2422;5.748,.7458,-.2579;5.8608,2.4603,.1555;6.3809,1.8864,-1.4254;1.7875,1.8006,-1.6765;3.4048,-1.9762,.984;1.6036,2.507,1.9162;-2.5943,1.2915,-.3728;-.4116,2.2533,3.2045;.0497,-1.1945,-.5233;3.2984,-3.9752,-.1896;2.1516,-5.4946,-1.7751;-.0407,-4.8716,-2.725;-2.8664,-1.0069,-3.4157;-1.9832,-2.9471,.3089;-4.8175,.0899,-2.3738;-3.9046,-1.8302,1.3412;-5.3506,-.3207,.0099; 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 3319 GEPOL Volume 3319.5767 GEPOL Surface-area 1777.0056 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -2099.11919943 4148.85412734 -6247.97332677 -11132.91652640 4884.94319963 -0.04317470 -4190.90700701 2091.78780758 2.00350484 129.999765787620 129.999765787620 259.999531575239 -173.912404047918 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 -2765.4754 -675.4082 -675.3525 -675.2837 -525.3828 -524.6880 -523.6713 -393.0876 -392.9653 -286.5389 -283.7770 -282.8969 -281.7371 -281.5636 -281.5492 -281.5236 -281.3154 -281.1781 -280.5748 -280.3871 -280.3347 -280.2177 -280.0479 -280.0437 -279.9836 -279.9465 -279.9284 -279.9139 -279.7957 -279.7820 -279.7706 -279.7070 -279.5950 -279.1657 -279.1279 -260.7433 -199.5769 -199.3440 -199.3374 -39.1777 -36.6824 -36.5678 -34.3714 -32.9798 -31.7728 -29.5722 -28.4751 -27.6383 -27.2392 -26.6633 -26.4946 -25.6486 -25.2738 -24.3022 -24.1732 -23.6666 -23.5832 -23.4930 -23.0729 -22.6386 -22.0226 -21.6301 -20.6804 -20.3814 -20.2118 -20.0522 -19.9246 -19.6022 -19.2068 -19.1664 -19.0680 -18.7226 -18.3254 -18.0625 -17.8598 -17.5174 -17.2662 -16.9949 -16.6413 -16.4210 -16.1950 -16.0305 -15.8440 -15.8309 -15.7685 -15.5603 -15.3029 -15.2033 -15.0909 -14.8660 -14.7808 -14.7585 -14.7121 -14.6631 -14.3349 -14.2998 -14.2797 -14.2592 -14.0689 -14.0048 -13.8908 -13.8116 -13.7039 -13.4859 -13.2491 -13.0206 -12.9619 -12.8640 -12.8526 -12.7178 -12.4759 -12.4399 -12.3706 -12.2712 -12.1219 -12.0763 -11.9348 -11.8633 -11.7713 -11.7432 -11.5825 -11.5000 -11.3813 -10.6420 -9.7030 -9.5297 -9.5131 -9.3469 -8.4934 -8.2895 0.9011 1.1121 1.3054 1.3899 1.6900 1.9099 2.0235 2.4896 2.9392 2.9973 3.2287 3.5908 3.7392 3.9414 3.9996 4.1841 4.3752 4.4606 4.6069 4.6848 4.8502 4.8909 5.0629 5.1935 5.2830 5.3509 5.3563 5.5289 5.6195 5.7646 5.8247 5.9207 5.9693 6.1101 6.1611 6.2037 6.3208 6.4762 6.5733 6.6491 6.6744 6.7219 6.9283 7.0360 7.1472 7.2862 7.3239 7.4069 7.5008 7.5898 7.6092 7.7990 7.8248 7.8613 7.8808 7.9803 8.0796 8.1818 8.2062 8.3118 8.4573 8.5402 8.5602 8.7339 8.7769 8.8705 9.0125 9.1016 9.1662 9.2413 9.2663 9.2991 9.4741 9.5895 9.6410 9.6448 9.7897 9.8428 9.9113 10.0290 10.2396 10.3286 10.3324 10.4833 10.5293 10.6094 10.6865 10.8029 10.9482 11.0296 11.1037 11.1227 11.2974 11.3049 11.3908 11.4840 11.5272 11.6587 11.7436 11.7903 11.8113 11.9880 12.0794 12.1580 12.2327 12.4044 12.5069 12.5648 12.6925 12.7343 12.8366 12.9003 13.0286 13.1261 13.1818 13.2630 13.3648 13.4635 13.5123 13.6094 13.6621 13.8237 13.8966 13.9900 14.0752 14.1277 14.1617 14.2080 14.3251 14.4357 14.4686 14.5314 14.6007 14.7080 14.7470 14.7953 14.8573 14.9282 14.9824 15.0531 15.2147 15.3491 15.3975 15.4565 15.4684 15.5777 15.5967 15.7174 15.8151 15.8962 15.9381 16.0290 16.1894 16.2234 16.2583 16.4200 16.5404 16.6392 16.7299 16.8306 16.8767 17.0479 17.1286 17.1882 17.2540 17.3793 17.4805 17.5758 17.7967 17.9235 17.9880 18.1351 18.2246 18.3697 18.4688 18.5345 18.6025 18.6439 18.7964 18.9530 19.0708 19.2303 19.5038 19.5231 19.5750 19.6294 19.9561 20.0150 20.0543 20.0793 20.2322 20.3747 20.4647 20.5490 20.6053 20.6701 20.8071 20.8688 21.0920 21.1212 21.2630 21.3812 21.5198 21.5823 21.6448 21.8393 21.8661 22.0064 22.0981 22.1540 22.2470 22.3081 22.3414 22.4782 22.5692 22.6379 22.8075 22.9343 23.0367 23.1981 23.2074 23.3542 23.5407 23.6992 23.7846 23.8308 23.8778 23.9598 24.0164 24.2260 24.3431 24.4185 24.6180 24.7351 24.8070 24.8387 24.9115 25.0212 25.1253 25.2955 25.4281 25.6064 25.6539 25.8020 25.9780 26.0887 26.1123 26.2407 26.4027 26.4092 26.5953 26.7484 26.8945 27.0140 27.0996 27.1952 27.3201 27.4352 27.5079 27.7465 27.9019 28.0237 28.0917 28.1044 28.2731 28.3102 28.3714 28.4659 28.6021 28.6428 28.7005 28.9768 29.0963 29.1824 29.2771 29.3702 29.4966 29.5520 29.7175 29.8016 29.9088 30.0707 30.1493 30.2615 30.2967 30.5202 30.6529 30.9011 30.9912 31.1040 31.1471 31.3265 31.3729 31.4362 31.5566 31.7949 31.8748 31.9599 32.0703 32.3384 32.4098 32.5409 32.6064 32.8824 32.9670 33.0907 33.1119 33.2480 33.3892 33.5075 33.5956 33.7570 33.8385 33.9507 34.0252 34.1056 34.2805 34.3504 34.5885 34.6403 34.6473 34.7622 34.8909 34.9136 35.0864 35.1361 35.3795 35.4322 35.6212 35.7743 35.8401 36.0727 36.2279 36.3540 36.3957 36.4800 36.5622 36.6238 36.7701 36.9098 37.1050 37.1479 37.3505 37.3869 37.4798 37.5713 37.8580 37.9035 37.9333 38.1286 38.2472 38.3050 38.4626 38.5375 38.7243 38.7404 38.8397 38.8840 39.0133 39.1943 39.2726 39.3680 39.5506 39.6927 39.7814 39.8088 39.9050 39.9589 40.1528 40.2536 40.2768 40.3455 40.4642 40.6582 40.8937 40.9383 41.1025 41.1204 41.1844 41.3249 41.3837 41.5553 41.7141 41.8020 41.9621 42.0325 42.0876 42.2515 42.3121 42.4630 42.6332 42.7653 42.7957 43.0078 43.2391 43.3447 43.3740 43.6027 43.6572 43.8832 43.9671 44.0681 44.2107 44.3313 44.4027 44.5150 44.6171 44.7767 44.8992 45.0257 45.2227 45.4829 45.6374 45.7975 45.9303 45.9954 46.0570 46.4280 46.4458 46.5821 46.6179 46.7637 46.9134 47.0652 47.1133 47.2293 47.3829 47.6052 47.6319 47.8504 47.9394 48.1069 48.2026 48.3144 48.3816 48.5650 48.6258 48.6857 48.7844 48.9287 49.0561 49.1634 49.5274 49.5576 49.7140 49.7916 49.9444 50.0421 50.1320 50.1810 50.3170 50.8056 50.9208 50.9607 51.1180 51.3418 51.5846 51.8052 51.9369 52.0174 52.0741 52.3429 52.5125 52.7827 52.9087 53.1059 53.1898 53.4333 53.5092 53.6245 53.8011 53.9148 54.1338 54.2411 54.3606 54.4855 54.8528 55.1022 55.1777 55.2709 55.3940 55.5681 55.7104 55.8334 55.9685 56.1143 56.2960 56.4245 56.6882 56.7848 56.8983 57.1451 57.2130 57.4104 57.5217 57.5772 57.6807 57.8124 57.8729 58.1275 58.3290 58.5196 58.5949 58.8320 58.9510 59.0879 59.3936 59.6122 59.7859 59.8914 59.9844 60.0665 60.2819 60.4331 60.5903 60.7176 60.7580 60.9244 60.9801 61.0067 61.2169 61.5020 61.7005 62.0431 62.2281 62.3618 62.4508 62.9362 63.0560 63.1437 63.4829 63.7343 63.9046 64.0974 64.3887 64.4177 64.5971 64.6231 64.7738 65.0001 65.2567 65.3281 65.5346 65.6640 65.7081 65.8399 65.9408 66.2367 66.3379 66.5607 66.6732 66.9827 67.1065 67.2464 67.4705 67.4953 67.5861 67.7741 67.8427 68.0423 68.1526 68.2105 68.3439 68.4691 68.7257 68.9404 69.0683 69.3153 69.4552 69.5786 69.9256 70.0356 70.2524 70.4671 70.5752 70.8358 70.8915 71.2226 71.3496 71.6629 72.0581 72.1927 72.4019 72.6050 72.7292 72.8904 73.0760 73.1833 73.6350 73.8288 73.9736 74.1262 74.5261 74.5709 74.7614 74.9289 75.1592 75.2641 75.4141 75.5950 75.6715 75.8128 75.8811 76.1530 76.4693 76.4722 76.5853 76.8061 76.9290 77.0284 77.1181 77.3310 77.5246 77.6041 77.8990 78.0385 78.1253 78.3374 78.3688 78.4519 78.5267 78.8530 78.9108 78.9334 79.0577 79.1795 79.3175 79.5072 79.5596 79.6263 79.7153 79.8327 79.8908 79.9697 80.1040 80.2352 80.4413 80.5201 80.6008 80.8177 80.9024 81.0357 81.1370 81.2883 81.4555 81.5720 81.6649 81.7936 82.0353 82.2337 82.3058 82.4055 82.4428 82.6419 82.7514 82.8447 82.9482 83.0103 83.0926 83.2169 83.2985 83.3562 83.4670 83.6183 83.7521 83.9331 84.0184 84.0793 84.1940 84.3779 84.5232 84.5939 84.6550 84.6804 85.0219 85.0730 85.1546 85.2323 85.3374 85.4229 85.4496 85.5658 85.6864 85.7111 85.9367 86.0383 86.1265 86.2348 86.3962 86.4977 86.6342 86.7038 86.7228 86.8942 86.9408 87.2171 87.3426 87.3805 87.5592 87.6741 87.7500 87.9212 88.0510 88.0920 88.3550 88.3718 88.5193 88.6468 88.6845 88.8598 88.9679 89.1279 89.1763 89.2780 89.3486 89.4642 89.5083 89.5450 89.7609 89.8001 89.9647 90.0732 90.1548 90.2280 90.2848 90.3614 90.4769 90.5546 90.6410 90.7966 90.8611 91.0304 91.1359 91.2831 91.3072 91.3644 91.5415 91.6643 91.8073 91.8391 92.0764 92.2271 92.3802 92.4942 92.5504 92.6225 92.6515 92.7298 92.8855 92.9732 93.0002 93.2044 93.2929 93.3973 93.5312 93.5781 93.6863 93.9669 94.0459 94.0873 94.2100 94.3397 94.3917 94.4588 94.5216 94.6535 94.7505 95.0016 95.0303 95.1655 95.2546 95.3554 95.4527 95.5145 95.6819 95.7018 95.8337 95.8973 96.1215 96.2035 96.2961 96.3670 96.4485 96.5393 96.6498 96.8073 96.9935 97.0992 97.1285 97.3166 97.4052 97.4230 97.4955 97.6282 97.7375 97.9483 98.1376 98.3061 98.3219 98.4457 98.6664 98.7772 98.8866 99.0162 99.1798 99.3215 99.3621 99.4797 99.6607 99.6930 99.8205 99.9035 100.1458 100.3436 100.3853 100.4692 100.5608 100.6377 100.8241 100.8992 101.0641 101.2618 101.4013 101.5506 101.6615 101.9691 102.0549 102.2741 102.4587 102.6018 102.8098 102.8596 102.9115 103.2001 103.4586 103.5841 103.7177 103.9856 104.0531 104.1593 104.2707 104.3701 104.5926 104.7707 104.8884 104.9047 105.0712 105.2089 105.3306 105.5197 105.6509 105.7020 105.7663 105.8848 106.0190 106.1291 106.3752 106.4867 106.4910 106.7027 106.8164 107.0038 107.1058 107.2202 107.4314 107.5574 107.6336 107.7261 107.9116 108.0499 108.0551 108.3513 108.5695 108.6902 108.7834 108.9176 108.9966 109.1113 109.2349 109.3405 109.4291 109.6782 109.7622 109.7841 109.9332 110.0400 110.2198 110.3227 110.3831 110.4878 110.5980 110.6808 110.8567 110.9724 111.0180 111.2210 111.3198 111.5347 111.7125 111.8971 112.0129 112.0874 112.1787 112.4263 112.6189 112.7729 113.0274 113.1986 113.2538 113.3663 113.6411 113.7492 113.9076 113.9644 114.1024 114.2982 114.3654 114.7263 114.8069 114.8296 115.0735 115.1501 115.2615 115.4458 115.5742 115.6554 115.8980 115.9433 116.0725 116.2357 116.4122 116.5464 116.6384 116.7906 116.9225 116.9715 117.1113 117.3066 117.3429 117.4258 117.6364 117.6659 117.8645 117.9405 118.1372 118.2413 118.3780 118.4530 118.5766 118.6810 118.7871 118.8694 119.0145 119.0993 119.2518 119.3431 119.4208 119.4651 119.5929 119.6852 119.9516 120.1362 120.2240 120.3777 120.6508 120.7104 120.8641 120.9454 121.1424 121.2429 121.3224 121.4145 121.5996 121.6829 121.7677 121.9017 122.1016 122.2117 122.4769 122.6932 122.8549 123.0226 123.1412 123.2406 123.5923 123.9083 124.1352 124.4948 124.5585 125.1524 125.2593 125.4006 125.6998 126.0698 126.2373 126.3251 126.5123 126.8182 126.9300 127.1487 127.2701 127.4313 127.6681 127.9877 128.1144 128.3830 128.5115 128.8899 129.1704 129.4597 129.5234 129.6500 129.7238 129.9417 130.1078 130.2544 130.3545 130.5131 130.7112 130.8430 131.0593 131.1425 131.2333 131.3507 131.4539 131.6210 131.8342 132.1267 132.3400 132.4314 132.7201 132.8951 132.9986 133.0781 133.4634 133.6270 133.7096 133.7797 134.2483 134.5129 134.5669 134.8821 135.1065 135.3695 135.4672 135.5552 135.9288 136.1686 136.3606 136.6268 136.7281 137.0130 137.2645 137.4599 137.7155 137.9262 138.3459 138.5742 138.6113 138.9210 139.2454 139.4010 139.6156 139.7354 140.0905 140.2669 140.6551 141.1111 141.2978 141.5940 141.8124 142.1321 142.3852 142.5364 142.6172 143.0501 143.3904 143.6882 144.0408 144.4960 144.6000 144.6768 144.8359 145.1264 145.2996 145.4468 145.6461 145.7179 145.9762 146.0572 146.3926 146.9364 147.0548 147.4084 147.5765 147.8053 148.0495 148.0931 148.1174 148.3655 148.5520 148.7637 148.9026 149.3691 149.4593 149.6061 149.7994 149.9346 150.0581 150.3204 150.6086 150.8981 151.2115 151.3384 151.6198 151.8345 152.4152 152.7018 152.8187 152.8250 153.1922 153.4232 153.9442 154.5980 154.6459 154.9096 155.0650 155.4482 155.5395 155.5536 155.9351 156.4210 156.4999 156.6470 157.0247 157.1479 157.3133 157.5635 157.9754 158.3413 158.7168 158.8877 158.9881 159.4692 159.7422 160.1516 160.5684 160.7030 161.4143 161.4559 161.6838 162.0705 162.4068 162.7707 163.1027 163.3896 163.6456 164.4411 166.0913 167.1263 167.3393 168.8151 170.1023 170.3771 171.2964 171.4834 171.6872 172.8652 173.2801 174.4684 174.8308 176.1771 177.3223 177.8202 178.0981 179.0325 180.6927 181.9823 185.3552 186.5424 186.9127 187.5020 187.6520 187.6991 188.6773 188.7796 188.8951 189.1422 189.1946 189.2701 189.2805 189.3341 189.6874 189.7329 191.3658 192.1998 192.4566 192.7473 193.1942 194.2716 194.9439 195.2840 195.5066 195.8376 196.8177 198.4107 202.2561 202.8055 203.2441 205.1467 205.8353 206.4855 206.7516 207.4563 209.5885 210.1086 223.1235 224.5392 224.9411 228.2065 228.4202 228.9540 229.2757 230.3554 233.1945 233.3295 235.9681 238.9531 241.1234 241.3203 244.4977 246.1533 247.6670 248.3293 250.7418 252.2147 296.8929 299.9044 313.8868 618.4586 620.3760 621.6569 625.7448 629.2972 630.8855 632.0150 632.0596 633.5245 634.1295 634.4829 634.6429 635.3363 635.6657 636.1953 636.8748 637.1248 637.5813 637.9006 643.0866 644.9228 646.3684 648.6431 654.4912 657.5882 658.4676 717.7732 879.3378 904.7043 1201.4657 1213.9697 1215.2480 1559.1015 1562.4250 1564.5311 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 -0.097748 -0.188194 -0.186737 -0.183508 -0.261414 -0.423260 -0.332169 -0.231172 -0.093913 0.058620 0.116667 -0.295062 -0.303224 0.326506 0.149928 0.435764 0.002244 -0.209525 -0.006565 -0.063411 -0.120479 -0.199621 -0.194011 -0.197029 0.564456 0.273941 -0.239831 -0.109070 -0.241275 0.327772 -0.296684 -0.181382 -0.090876 -0.160616 -0.193116 0.062466 0.123172 0.092707 0.096690 0.090350 0.094117 0.096281 0.095278 0.153520 0.135673 0.150414 0.161039 0.148033 0.117785 0.150216 0.162856 0.149662 0.143747 0.153703 0.157757 0.156012 0.152515 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 17.0977 9.1882 9.1867 9.1835 8.2614 8.4233 8.3322 7.2312 7.0939 5.9414 5.8833 6.2951 6.3032 5.6735 5.8501 5.5642 5.9978 6.2095 6.0066 6.0634 6.1205 6.1996 6.1940 6.1970 5.4355 5.7261 6.2398 6.1091 6.2413 5.6722 6.2967 6.1814 6.0909 6.1606 6.1931 0.9375 0.8768 0.9073 0.9033 0.9097 0.9059 0.9037 0.9047 0.8465 0.8643 0.8496 0.8390 0.8520 0.8822 0.8498 0.8371 0.8503 0.8563 0.8463 0.8422 0.8440 0.8475 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 -0.0977 -0.1882 -0.1867 -0.1835 -0.2614 -0.4233 -0.3322 -0.2312 -0.0939 0.0586 0.1167 -0.2951 -0.3032 0.3265 0.1499 0.4358 0.0022 -0.2095 -0.0066 -0.0634 -0.1205 -0.1996 -0.1940 -0.1970 0.5645 0.2739 -0.2398 -0.1091 -0.2413 0.3278 -0.2967 -0.1814 -0.0909 -0.1606 -0.1931 0.0625 0.1232 0.0927 0.0967 0.0903 0.0941 0.0963 0.0953 0.1535 0.1357 0.1504 0.1610 0.1480 0.1178 0.1502 0.1629 0.1497 0.1437 0.1537 0.1578 0.1560 0.1525 1.2304 1.0942 1.1125 1.1149 2.1858 2.0702 2.0790 3.1981 3.0943 3.8187 3.8513 3.9381 3.9458 4.1419 3.8579 3.7325 3.9059 3.9037 3.7446 3.6666 3.9151 4.0255 3.9542 3.9349 4.4124 3.7337 4.0221 3.8864 4.0062 3.6101 3.9612 3.8700 3.8176 3.8285 3.8441 1.0257 1.0058 1.0159 1.0048 1.0011 1.0085 1.0042 1.0033 1.0434 1.0154 1.0108 1.0043 1.0094 1.0287 1.0009 0.9880 1.0051 1.0131 0.9988 0.9886 1.0002 0.9990 1.2304 1.0942 1.1125 1.1149 2.1858 2.0702 2.0790 3.1981 3.0943 3.8187 3.8513 3.9381 3.9458 4.1419 3.8579 3.7325 3.9059 3.9037 3.7446 3.6666 3.9151 4.0255 3.9542 3.9349 4.4124 3.7337 4.0221 3.8864 4.0062 3.6101 3.9612 3.8700 3.8176 3.8285 3.8441 1.0257 1.0058 1.0159 1.0048 1.0011 1.0085 1.0042 1.0033 1.0434 1.0154 1.0108 1.0043 1.0094 1.0287 1.0009 0.9880 1.0051 1.0131 0.9988 0.9886 1.0002 0.9990 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 1.0567 1.1024 1.1359 1.1157 1.1606 0.9028 1.9297 0.9590 0.9393 0.9333 1.2131 0.9660 3.0347 0.9550 0.9395 0.9301 0.9863 0.9201 0.9903 0.9939 0.9992 0.9850 0.9862 0.9907 0.9958 1.2634 1.2702 0.9097 0.9100 0.9630 1.4283 1.4848 0.9894 1.3634 1.3688 1.3574 1.3595 1.0100 0.9454 0.9889 1.3929 0.9598 1.4196 0.9810 1.3706 1.4366 0.9814 0.9836 1.3412 1.3399 1.4064 1.0061 1.3952 0.9809 1.3778 0.9925 1.3720 0.9880 0.9986 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 -0.039859127 -2099.159058554286 36.61224 -34.20479 2.40745 -2.04247 1.75441 -0.28806 -17.64260 15.13621 -2.50639 3.48723 8.86383