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 Cl F O O O O O N 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 H 1 2 3 3 3 3 3 4 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 6 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.786,2.8924,2.5906;-1.2309,2.6411,2.3662;-2.1362,2.6861,-.5875;-.9687,-1.4544,.9147;3.6048,.9222,.5251;2.618,-2.1084,-.9263;3.2437,-1.7752,1.2026;-1.2264,.7726,.3389;-5.1404,-.4424,-1.9492;-5.148,-1.5229,-.8671;-4.5141,.8596,-1.4464;-3.7319,-1.8937,-.4227;-3.2703,.5502,-.698;-2.924,-.6595,-.2606;-2.1975,1.5175,-.3388;-1.6031,-.5683,.4138;-.0343,1.2951,.8643;1.1904,.8558,.3796;-.0603,2.2308,1.8801;2.3816,1.3173,.9191;.199,-2.9649,-2.358;1.1107,2.7396,2.4057;1.3052,-3.8768,-1.8411;2.3244,2.2801,1.9304;-.5303,-3.5351,-3.5678;1.9978,-3.3604,-.5985;-1.5913,-2.5888,-4.11;3.6917,-.0788,-.4462;3.1627,-1.4153,.067;-4.5747,-.8014,-2.8145;-6.1561,-.2535,-2.2993;-5.712,-1.1624,-.002;-5.6672,-2.4122,-1.2269;-4.302,1.5418,-2.2726;-5.207,1.3965,-.7902;-3.7463,-2.4636,.509;-3.2506,-2.5462,-1.1594;1.1755,.136,-.4264;.6182,-1.99,-2.6231;-.5195,-2.7812,-1.5526;2.0432,-4.0575,-2.6286;.8846,-4.8553,-1.5896;1.0757,3.4774,3.1949;.1933,-3.758,-4.3574;-.9894,-4.4919,-3.3021;1.2833,-3.2073,.2136;2.757,-4.0645,-.2496;-1.1502,-1.6441,-4.4314;-2.1131,-3.0174,-4.9656;-2.3415,-2.3546,-3.3515;4.7555,-.1893,-.6664;3.1945,.2062,-1.3796; 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 1676 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 222 Dim 1232 ENuc 3082.4283299139 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 7.282e-06 Time for diagonalization 0.529 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.256 sec Total time needed 0.792 sec 17 9 8 8 8 8 8 7 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 1 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.786,2.8924,2.5906;-1.2309,2.6411,2.3662;-2.1362,2.6861,-.5875;-.9687,-1.4544,.9147;3.6048,.9222,.5251;2.618,-2.1084,-.9263;3.2437,-1.7752,1.2026;-1.2264,.7726,.3389;-5.1404,-.4424,-1.9492;-5.148,-1.5229,-.8671;-4.5141,.8596,-1.4464;-3.7319,-1.8937,-.4227;-3.2703,.5502,-.698;-2.924,-.6595,-.2606;-2.1975,1.5175,-.3388;-1.6031,-.5683,.4138;-.0343,1.2951,.8643;1.1904,.8558,.3796;-.0603,2.2308,1.8801;2.3816,1.3173,.9191;.199,-2.9649,-2.358;1.1107,2.7396,2.4057;1.3052,-3.8768,-1.8411;2.3244,2.2801,1.9304;-.5303,-3.5351,-3.5678;1.9978,-3.3604,-.5985;-1.5913,-2.5888,-4.11;3.6917,-.0788,-.4462;3.1627,-1.4153,.067;-4.5747,-.8014,-2.8145;-6.1561,-.2535,-2.2993;-5.712,-1.1624,-.002;-5.6672,-2.4122,-1.2269;-4.302,1.5418,-2.2726;-5.207,1.3965,-.7902;-3.7463,-2.4636,.509;-3.2506,-2.5462,-1.1594;1.1755,.136,-.4264;.6182,-1.99,-2.6231;-.5195,-2.7812,-1.5526;2.0432,-4.0575,-2.6286;.8846,-4.8553,-1.5896;1.0757,3.4774,3.1949;.1933,-3.758,-4.3574;-.9894,-4.4919,-3.3021;1.2833,-3.2073,.2136;2.757,-4.0645,-.2496;-1.1502,-1.6441,-4.4314;-2.1131,-3.0174,-4.9656;-2.3415,-2.3546,-3.3515;4.7555,-.1893,-.6664;3.1945,.2062,-1.3796; 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 4 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.786,2.8924,2.5906;-1.2309,2.6411,2.3662;-2.1362,2.6861,-.5875;-.9687,-1.4544,.9147;3.6048,.9222,.5251;2.618,-2.1084,-.9263;3.2437,-1.7752,1.2026;-1.2264,.7726,.3389;-5.1404,-.4424,-1.9492;-5.148,-1.5229,-.8671;-4.5141,.8596,-1.4464;-3.7319,-1.8937,-.4227;-3.2703,.5502,-.698;-2.924,-.6595,-.2606;-2.1975,1.5175,-.3388;-1.6031,-.5683,.4138;-.0343,1.2951,.8643;1.1904,.8558,.3796;-.0603,2.2308,1.8801;2.3816,1.3173,.9191;.199,-2.9649,-2.358;1.1107,2.7396,2.4057;1.3052,-3.8768,-1.8411;2.3244,2.2801,1.9304;-.5303,-3.5351,-3.5678;1.9978,-3.3604,-.5985;-1.5913,-2.5888,-4.11;3.6917,-.0788,-.4462;3.1627,-1.4153,.067;-4.5747,-.8014,-2.8145;-6.1561,-.2535,-2.2993;-5.712,-1.1624,-.002;-5.6672,-2.4122,-1.2269;-4.302,1.5418,-2.2726;-5.207,1.3965,-.7902;-3.7463,-2.4636,.509;-3.2506,-2.5462,-1.1594;1.1755,.136,-.4264;.6182,-1.99,-2.6231;-.5195,-2.7812,-1.5526;2.0432,-4.0575,-2.6286;.8846,-4.8553,-1.5896;1.0757,3.4774,3.1949;.1933,-3.758,-4.3574;-.9894,-4.4919,-3.3021;1.2833,-3.2073,.2136;2.757,-4.0645,-.2496;-1.1502,-1.6441,-4.4314;-2.1131,-3.0174,-4.9656;-2.3415,-2.3546,-3.3515;4.7555,-.1893,-.6664;3.1945,.2062,-1.3796; -1805.18529283 3082.42832991 -4887.61362275 -8602.57967217 3714.96604942 -3604.20204173 1799.01674890 2.00342884 111.000045200335 111.000045200335 222.000090400671 -147.727397585103 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.2304 -674.9822 -524.8921 -524.7352 -523.5191 -523.4584 -523.1385 -394.0839 -283.3852 -283.3184 -283.2596 -282.3208 -281.9723 -281.8386 -281.6859 -281.4146 -281.2933 -280.7420 -280.7119 -280.3740 -280.3534 -280.3242 -280.2808 -280.0881 -280.0798 -279.8552 -279.7135 -279.6624 -279.5324 -260.4980 -199.3409 -199.0971 -199.0826 -36.9300 -33.8396 -33.0825 -32.9056 -32.3298 -31.2552 -29.9663 -27.9154 -27.2579 -26.3248 -25.5981 -25.0375 -24.6852 -24.3443 -24.2241 -23.6974 -23.0595 -22.0697 -21.4246 -21.4101 -20.7081 -20.2743 -20.0106 -19.8126 -19.2704 -18.9862 -18.5175 -18.2680 -17.8001 -17.7591 -17.7259 -17.2767 -16.7224 -16.5092 -16.4307 -16.0315 -16.0036 -15.9562 -15.7564 -15.6631 -15.4751 -15.1478 -15.0955 -15.0279 -14.9117 -14.7537 -14.6897 -14.5598 -14.3881 -14.3465 -14.1688 -14.1028 -14.0388 -13.8819 -13.6271 -13.5004 -13.3214 -12.9330 -12.7314 -12.4673 -12.2113 -12.1818 -12.1653 -12.0512 -12.0401 -11.9227 -11.8767 -11.6040 -11.5602 -11.1452 -11.0582 -10.8950 -10.7478 -10.4316 -10.1996 -10.0457 -9.4295 -8.5362 -0.4791 0.9404 1.8460 2.1927 2.3812 2.8795 2.9916 3.1928 3.2559 3.5869 3.6116 3.7126 3.7509 4.0035 4.1971 4.2540 4.4089 4.5889 4.6112 4.7283 4.8128 4.8397 4.9432 5.1032 5.2965 5.3866 5.4852 5.6079 5.6917 5.7975 5.8404 5.9850 6.0908 6.1089 6.2558 6.3569 6.3847 6.6356 6.7020 6.8147 6.9316 7.1313 7.1535 7.1904 7.3715 7.4709 7.6319 7.7036 7.7232 7.8725 8.0008 8.1210 8.2012 8.2873 8.3644 8.4943 8.6025 8.7379 8.8945 9.0984 9.2001 9.3236 9.3766 9.4834 9.5109 9.5325 9.6593 9.6718 9.8639 9.9321 10.0633 10.1881 10.2366 10.4338 10.6136 10.7250 10.7932 10.8430 11.0904 11.1697 11.2639 11.3628 11.3966 11.4774 11.6250 11.7498 11.8882 11.9818 11.9912 12.0576 12.2211 12.3180 12.3860 12.4802 12.5022 12.6166 12.7346 12.8114 12.8332 13.0440 13.0824 13.1809 13.2564 13.3321 13.4112 13.4501 13.5987 13.6379 13.7340 13.7700 13.8096 13.9213 13.9747 14.0555 14.1356 14.2403 14.3329 14.3769 14.4603 14.5109 14.5508 14.6906 14.6921 14.8914 14.9936 15.0429 15.0865 15.2105 15.2620 15.2666 15.3847 15.4844 15.5158 15.7834 15.8680 16.0665 16.1014 16.1684 16.2831 16.3612 16.5316 16.6647 16.7465 16.8230 16.9693 17.0027 17.1182 17.2974 17.3724 17.4951 17.6328 17.6777 17.8687 17.9618 18.3332 18.3817 18.5324 18.5930 18.8755 18.9326 19.0313 19.1306 19.2581 19.4264 19.4935 19.6771 19.8098 20.0391 20.2178 20.3105 20.3359 20.6031 20.7852 20.9448 21.0441 21.1334 21.3439 21.4027 21.5759 21.7069 21.7638 21.8231 21.9474 21.9954 22.1542 22.2203 22.3669 22.4309 22.5114 22.6313 22.8512 22.9661 23.0237 23.1025 23.3019 23.4250 23.5180 23.5753 23.7635 23.7977 23.9239 24.0600 24.2134 24.3612 24.4618 24.5418 24.5978 24.8938 25.0029 25.1352 25.3818 25.5298 25.6655 25.7531 26.0293 26.0886 26.1047 26.2497 26.3576 26.4746 26.6025 26.7308 26.8251 26.8786 27.1485 27.2116 27.3510 27.4236 27.6008 27.8029 28.1029 28.1640 28.3272 28.4644 28.6303 28.6894 28.9155 29.0379 29.0899 29.2504 29.4483 29.5781 29.6449 29.7855 29.9478 30.1009 30.1773 30.3762 30.4893 30.5611 30.6086 30.8603 30.9760 31.1089 31.1714 31.2210 31.3442 31.4012 31.5452 31.5936 31.8140 32.0492 32.1514 32.2742 32.3950 32.4078 32.6321 32.7463 32.9267 33.0772 33.1119 33.3041 33.3753 33.4574 33.6353 33.7437 33.8107 33.9381 34.1242 34.2287 34.3108 34.4057 34.5770 34.6787 34.7302 34.9022 35.0156 35.1951 35.4080 35.5067 35.5850 35.7298 35.9645 36.0301 36.1682 36.2657 36.3742 36.4441 36.6616 36.9166 37.0301 37.0925 37.1152 37.2832 37.4524 37.6680 37.8266 37.9239 37.9768 38.0156 38.1945 38.4160 38.4924 38.6653 38.7761 38.8425 38.9851 39.1757 39.4317 39.5557 39.7312 39.9953 40.0636 40.1706 40.4025 40.4494 40.5691 40.7799 41.0260 41.0458 41.2495 41.4441 41.6422 41.7473 41.8008 41.8501 42.0290 42.1068 42.1466 42.3955 42.4994 42.6042 42.6411 42.8270 42.9674 43.1216 43.1467 43.2898 43.3310 43.4922 43.5943 43.7292 43.8928 44.0812 44.1716 44.3741 44.4719 44.5536 44.9239 45.0607 45.0832 45.1548 45.3085 45.3802 45.5702 45.7167 45.7443 46.1136 46.1744 46.3035 46.4015 46.6487 46.7536 47.0830 47.1076 47.3102 47.3511 47.5693 47.6789 47.7611 47.7893 48.0100 48.2183 48.2716 48.5636 48.6977 48.8440 49.0210 49.1119 49.3426 49.6825 49.7369 49.9083 50.1327 50.3170 50.4658 50.6296 50.7295 51.0027 51.0909 51.5000 51.6259 51.7456 51.9748 52.2536 52.3684 52.6989 52.8523 52.9014 53.0337 53.3218 53.5605 53.6529 53.9550 54.0472 54.3586 54.5347 54.7983 55.1090 55.4847 55.8848 55.9427 56.3984 56.5152 56.6498 56.7810 56.9258 57.1551 57.3104 57.4453 57.5854 57.7369 57.9521 58.0319 58.3527 58.5574 58.7963 58.8935 59.2925 59.5301 59.6017 59.8258 59.9888 60.2175 60.2833 60.5405 60.5982 60.8942 61.1477 61.2446 61.3438 61.4950 61.7809 61.9694 62.0365 62.1724 62.3898 62.5597 62.6986 62.8298 63.0011 63.2660 63.3357 63.4794 63.6523 63.8871 64.1042 64.2919 64.5558 64.7704 65.0741 65.1466 65.3656 65.3941 65.4880 65.7375 65.9587 65.9903 66.1344 66.5990 66.7599 66.7832 67.4076 67.6033 67.7509 68.0446 68.1207 68.3115 68.4276 69.0906 69.3733 69.4489 69.5459 69.8531 70.1000 70.2685 70.5811 70.6593 70.7421 71.1307 71.3883 71.5768 71.9857 72.1651 72.2590 72.4256 72.6059 72.6980 72.7816 72.9408 73.1699 73.4404 73.6763 73.7893 73.8807 74.0769 74.4329 74.5719 74.6280 74.7759 75.1476 75.1697 75.5700 75.6089 75.7234 75.8867 75.9822 76.3522 76.3587 76.4737 76.5588 76.9000 77.1317 77.3226 77.4191 77.4605 77.5926 77.8881 78.0107 78.1847 78.5634 78.7074 78.9010 79.0001 79.1080 79.1821 79.2799 79.3545 79.6130 79.8002 79.9190 80.0209 80.1242 80.2348 80.5902 80.6332 80.7076 80.7650 80.8712 81.0795 81.2155 81.4494 81.5977 81.7174 81.7845 81.9500 82.0727 82.2715 82.3333 82.3463 82.6146 82.7774 82.9429 83.0030 83.2433 83.2960 83.4272 83.6364 83.7772 83.9968 84.0554 84.2163 84.2809 84.5085 84.5957 84.7626 84.7973 84.9361 85.0165 85.1257 85.3401 85.4078 85.5310 85.5714 85.7631 85.8880 85.9238 85.9664 86.2293 86.4056 86.4165 86.5996 86.6791 86.7884 86.9045 87.0778 87.1691 87.2492 87.3846 87.4009 87.5152 87.7046 87.9708 88.1072 88.1535 88.2699 88.4021 88.5046 88.5460 88.6451 88.6610 88.7330 88.8473 89.0577 89.0933 89.2558 89.3974 89.4915 89.5680 89.6469 89.8341 89.9060 90.0972 90.1493 90.2596 90.2909 90.3785 90.5732 90.6326 90.7705 90.8445 91.0401 91.1197 91.2169 91.3245 91.4748 91.5539 91.7908 91.9260 92.1996 92.3161 92.4091 92.6038 92.7062 92.9198 93.0664 93.1006 93.3701 93.5842 93.6652 93.6941 93.8240 94.0800 94.1609 94.2215 94.3439 94.4190 94.6388 94.7555 94.8200 95.0861 95.1525 95.2741 95.3754 95.4298 95.4906 95.6224 95.7831 96.0886 96.1332 96.2381 96.4184 96.5299 96.7564 96.8780 97.3855 97.5077 97.6507 97.7688 97.8141 97.9035 98.1086 98.1969 98.4124 98.6881 98.8275 98.9339 99.0716 99.2026 99.3102 99.3837 99.5205 99.6923 99.7699 99.9300 100.0470 100.1800 100.2257 100.4587 100.7306 100.9178 101.0803 101.1722 101.2855 101.3947 101.5746 101.8394 101.9607 102.1527 102.2122 102.3530 102.5705 102.6349 102.9498 102.9840 103.0390 103.2553 103.4220 103.5912 103.8362 103.9619 104.1097 104.2719 104.4775 104.5579 104.6732 104.7883 105.0941 105.2072 105.3009 105.3809 105.5986 105.8140 106.0363 106.2871 106.3666 106.5099 106.6050 106.7263 107.0826 107.2715 107.2868 107.5435 107.7061 107.7438 108.0292 108.0899 108.3260 108.4416 108.5831 108.6807 108.7865 108.9647 109.1258 109.2338 109.4052 109.5505 109.6849 109.9553 110.0656 110.2154 110.3607 110.5107 110.6071 110.7488 110.9634 111.2819 111.4276 111.4843 111.8673 111.9749 112.2272 112.2860 112.5322 112.5870 112.6760 112.8281 112.9257 113.0130 113.2472 113.3908 113.5686 113.5966 113.6783 113.9290 114.0593 114.1123 114.2122 114.3551 114.5010 114.6442 114.8898 114.9789 115.0683 115.1771 115.4443 115.4765 115.6554 115.8027 115.8932 115.9801 116.1086 116.2517 116.3315 116.7062 117.0580 117.1519 117.2893 117.3945 117.5986 117.6372 117.8232 117.9250 118.1871 118.2861 118.4145 118.5083 118.6259 118.6564 118.8253 119.1092 119.3133 119.3726 119.5886 119.7361 119.9368 119.9724 120.0701 120.1362 120.3380 120.3588 120.6102 120.7436 121.1403 121.3234 121.5023 121.5654 121.9826 122.0242 122.0857 122.2302 122.3148 122.7765 122.9810 123.3733 123.6196 123.9206 124.0328 124.2677 124.4928 124.5967 124.7837 124.9535 125.1766 125.3588 125.7508 125.8241 126.1506 126.3126 126.5760 126.5951 127.1774 127.2703 127.4658 127.8896 127.9905 128.2493 128.4082 128.5104 128.7318 128.9853 129.3397 129.4049 129.7193 129.9498 130.4282 130.6652 130.9293 131.2233 131.2296 131.3460 131.5229 131.6954 131.9059 132.2847 132.4080 132.5525 132.9136 133.0188 133.2095 133.4360 133.8314 133.8983 134.0432 134.1976 134.5181 134.6304 134.9035 135.0633 135.1158 135.2899 135.6874 135.8277 136.0024 136.0726 136.4192 136.5490 137.2573 137.4194 137.5636 137.8429 137.9877 138.2230 138.3325 138.4525 138.7507 138.8360 138.9963 139.0738 139.4100 139.5363 139.8438 140.0838 140.2913 140.8018 141.0017 141.4320 141.6400 142.0195 142.4029 142.6585 143.0598 143.5045 143.5651 143.7188 143.9735 144.2120 144.3269 144.7649 144.8001 145.2222 145.2819 145.5143 145.8241 146.1719 146.2789 146.6410 146.7460 147.0902 147.2306 147.7681 147.9346 148.0215 148.4950 148.5836 148.8360 149.0056 149.1858 149.5346 149.6012 149.7686 150.1353 150.2017 150.2890 150.6746 150.8144 150.9323 151.1182 151.2116 151.3504 151.7392 152.1903 152.4295 152.5280 152.9769 152.9991 153.1584 153.4128 153.5652 153.6576 153.9160 153.9296 154.0904 154.1924 154.5151 154.5808 154.6296 154.9193 155.3573 155.4058 155.6966 155.8913 156.0684 156.2137 156.3381 156.8097 157.4205 157.5299 157.6144 157.8639 158.0088 158.3276 158.5577 158.8675 159.4300 159.6368 160.1037 160.1474 160.4313 160.4538 160.7499 161.2830 161.5498 161.7211 162.9750 163.5593 165.2463 165.6603 166.3662 168.0773 169.2782 170.2421 170.8609 172.0244 172.1924 172.8895 173.3461 174.3301 174.9663 176.4324 176.6445 177.3263 177.4295 179.1028 180.1431 180.8393 181.3143 182.1797 182.2876 185.2670 185.8112 186.3656 187.0019 188.2427 188.6030 188.9356 189.2156 189.5063 189.7911 190.2355 191.0625 192.7171 192.8450 193.0391 193.7840 195.2745 196.2649 196.3756 197.1513 197.5706 198.4527 199.4874 200.6478 202.4329 205.0721 206.1915 206.4401 207.1369 212.2456 221.8198 223.5819 223.8021 228.1957 230.0850 230.4211 236.2996 241.4623 248.2038 249.3453 295.0895 298.1627 313.4877 615.1813 617.7544 626.5611 632.1252 633.8366 634.7024 636.0738 636.3255 637.5390 638.0503 639.6210 640.1274 640.6774 641.8597 642.1134 643.3042 644.0317 646.1749 646.6839 649.9207 650.9265 716.2209 905.9968 1199.4126 1200.2772 1202.0448 1210.2916 1212.5319 1564.7725 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Cl F O O O O O N 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 H -0.050835 -0.195621 -0.299526 -0.323043 -0.273275 -0.274874 -0.316707 -0.087109 -0.145754 -0.120685 -0.072539 -0.101120 -0.088537 -0.078852 0.277940 0.236051 0.008961 -0.125580 0.188556 0.316411 -0.074333 -0.115442 -0.107441 -0.025492 -0.105038 -0.022175 -0.220504 0.033736 0.282597 0.076649 0.083377 0.079378 0.080208 0.094159 0.095071 0.103319 0.093795 0.082157 0.064749 0.022441 0.066603 0.062558 0.113625 0.058809 0.059307 0.113255 0.111515 0.079470 0.091205 0.030441 0.112914 0.105222 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Cl F O O O O O N 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 H 17.0508 9.1956 8.2995 8.3230 8.2733 8.2749 8.3167 7.0871 6.1458 6.1207 6.0725 6.1011 6.0885 6.0789 5.7221 5.7639 5.9910 6.1256 5.8114 5.6836 6.0743 6.1154 6.1074 6.0255 6.1050 6.0222 6.2205 5.9663 5.7174 0.9234 0.9166 0.9206 0.9198 0.9058 0.9049 0.8967 0.9062 0.9178 0.9353 0.9776 0.9334 0.9374 0.8864 0.9412 0.9407 0.8867 0.8885 0.9205 0.9088 0.9696 0.8871 0.8948 17.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0508 -0.1956 -0.2995 -0.3230 -0.2733 -0.2749 -0.3167 -0.0871 -0.1458 -0.1207 -0.0725 -0.1011 -0.0885 -0.0789 0.2779 0.2361 0.0090 -0.1256 0.1886 0.3164 -0.0743 -0.1154 -0.1074 -0.0255 -0.1050 -0.0222 -0.2205 0.0337 0.2826 0.0766 0.0834 0.0794 0.0802 0.0942 0.0951 0.1033 0.0938 0.0822 0.0647 0.0224 0.0666 0.0626 0.1136 0.0588 0.0593 0.1133 0.1115 0.0795 0.0912 0.0304 0.1129 0.1052 1.2605 1.1064 2.2188 2.1762 2.1483 2.1130 2.1853 3.0488 3.9003 3.8844 3.9168 3.9332 3.6631 3.6230 4.2390 4.2115 3.7337 3.9870 4.1530 3.8793 3.8405 3.9775 3.9306 3.9513 3.9140 3.8779 3.9454 3.9177 4.1534 1.0098 1.0129 1.0097 1.0127 1.0199 1.0070 1.0211 1.0034 1.0486 1.0151 1.0371 1.0177 1.0165 1.0228 1.0088 1.0044 1.0039 1.0053 1.0052 1.0087 1.0085 0.9933 1.0057 1.2605 1.1064 2.2188 2.1762 2.1483 2.1130 2.1853 3.0488 3.9003 3.8844 3.9168 3.9332 3.6631 3.6230 4.2390 4.2115 3.7337 3.9870 4.1530 3.8793 3.8405 3.9775 3.9306 3.9513 3.9140 3.8779 3.9454 3.9177 4.1534 1.0098 1.0129 1.0097 1.0127 1.0199 1.0070 1.0211 1.0034 1.0486 1.0151 1.0371 1.0177 1.0165 1.0228 1.0088 1.0044 1.0039 1.0053 1.0052 1.0087 1.0085 0.9933 1.0057 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.1091 1.0639 2.1440 2.0900 1.1297 0.9917 0.8495 1.1792 2.0348 1.0869 1.1039 0.8466 0.9144 0.9208 1.0118 1.0096 0.9260 1.0082 1.0097 0.9882 1.0015 0.9864 0.9744 0.9997 0.9947 1.7318 0.9516 0.9493 1.3979 1.4134 1.3729 0.9244 1.4536 1.2914 0.9381 0.9511 0.9965 0.9915 1.4005 0.9696 0.9730 1.0016 1.0008 0.9518 1.0033 0.9998 0.9927 0.9951 1.0003 1.0021 0.9875 0.9015 0.9522 1.0236 0 23 1 18 2 14 3 15 4 19 4 27 5 25 5 28 6 28 7 14 7 15 7 16 8 9 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 13 12 14 13 15 16 17 16 18 17 19 17 37 18 21 19 23 20 22 20 24 20 38 20 39 21 23 21 42 22 25 22 40 22 41 24 26 24 43 24 44 25 45 25 46 26 47 26 48 26 49 27 28 27 50 27 51 -0.029546199 -1805.214839032015 -30.19511 28.88718 -1.30793 -42.52926 41.22870 -1.30056 -41.48406 39.70427 -1.77980 2.56317 6.51505