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:4.0337,2.5596,1.7013;-.8346,3.3533,.737;-1.8411,-.6128,2.4325;-1.722,1.6617,-1.5117;3.2249,-.1777,1.5985;3.0532,-1.7774,-.5155;2.4795,-3.5611,.7212;-1.4245,.6728,.5551;-5.846,-.8975,.2907;-5.5203,-.8126,-1.2011;-4.6049,-1.2083,1.1296;-4.522,.3063,-1.5062;-3.467,-.3822,.6549;-3.4347,.2874,-.4966;-2.1837,-.1664,1.3748;-2.128,.9859,-.6104;-.1261,1.1191,.8376;.8991,.2064,1.0533;.1504,2.472,.9007;2.1869,.6342,1.3376;1.0284,-1.3378,-2.8487;1.4319,2.9239,1.1429;1.5858,-2.6431,-2.2941;2.4423,2.008,1.3666;-.3738,-1.5043,-3.4268;2.9893,-2.5438,-1.7277;-.8223,-.3116,-4.2592;2.9823,-1.5318,1.8435;2.7951,-2.408,.6153;-6.2735,.0532,.6219;-6.6088,-1.6576,.4655;-5.1019,-1.7667,-1.5341;-6.4345,-.6581,-1.7759;-4.7899,-1.0287,2.1909;-4.3382,-2.2675,1.0515;-4.1069,.2039,-2.5116;-5.0145,1.2838,-1.4878;.6549,-.8449,.9986;1.6997,-.9723,-3.6335;1.0178,-.5613,-2.078;1.6282,-3.379,-3.1037;.9136,-3.0712,-1.5456;1.6348,3.985,1.1792;-.4056,-2.407,-4.0451;-1.0828,-1.6775,-2.611;3.4041,-3.5377,-1.5536;3.6458,-2.0164,-2.4204;-.802,.6116,-3.6825;-.1736,-.1762,-5.126;-1.8388,-.4456,-4.6309;2.129,-1.6894,2.5127;3.8639,-1.9074,2.3678; 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 3093.2812960933 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 7.492e-06 Time for diagonalization 0.531 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.263 sec Total time needed 0.801 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:4.0337,2.5596,1.7013;-.8346,3.3533,.737;-1.8411,-.6128,2.4325;-1.722,1.6617,-1.5117;3.2249,-.1778,1.5985;3.0532,-1.7774,-.5155;2.4795,-3.5611,.7212;-1.4245,.6728,.5551;-5.846,-.8975,.2907;-5.5203,-.8126,-1.2011;-4.6049,-1.2083,1.1296;-4.522,.3063,-1.5062;-3.467,-.3822,.6549;-3.4347,.2874,-.4966;-2.1837,-.1664,1.3748;-2.128,.9859,-.6104;-.1261,1.1191,.8376;.8991,.2064,1.0533;.1504,2.472,.9007;2.1869,.6342,1.3376;1.0284,-1.3378,-2.8487;1.4319,2.9239,1.1429;1.5858,-2.6431,-2.2941;2.4423,2.008,1.3666;-.3738,-1.5043,-3.4268;2.9893,-2.5437,-1.7277;-.8223,-.3116,-4.2592;2.9823,-1.5318,1.8435;2.7951,-2.408,.6153;-6.2735,.0532,.6219;-6.6088,-1.6576,.4655;-5.1019,-1.7667,-1.5341;-6.4345,-.6581,-1.7759;-4.7899,-1.0287,2.1909;-4.3382,-2.2675,1.0515;-4.1069,.2039,-2.5116;-5.0145,1.2838,-1.4878;.6549,-.8449,.9986;1.6997,-.9723,-3.6335;1.0178,-.5613,-2.078;1.6282,-3.379,-3.1037;.9136,-3.0712,-1.5456;1.6348,3.985,1.1792;-.4056,-2.407,-4.0451;-1.0828,-1.6775,-2.611;3.4041,-3.5377,-1.5536;3.6458,-2.0164,-2.4204;-.802,.6116,-3.6825;-.1736,-.1762,-5.126;-1.8388,-.4456,-4.6309;2.129,-1.6894,2.5127;3.8639,-1.9074,2.3678; 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:4.0337,2.5596,1.7013;-.8346,3.3533,.737;-1.8411,-.6128,2.4325;-1.722,1.6617,-1.5117;3.2249,-.1777,1.5985;3.0532,-1.7774,-.5155;2.4795,-3.5611,.7212;-1.4245,.6728,.5551;-5.846,-.8975,.2907;-5.5203,-.8126,-1.2011;-4.6049,-1.2083,1.1296;-4.522,.3063,-1.5062;-3.467,-.3822,.6549;-3.4347,.2874,-.4966;-2.1837,-.1664,1.3748;-2.128,.9859,-.6104;-.1261,1.1191,.8376;.8991,.2064,1.0533;.1504,2.472,.9007;2.1869,.6342,1.3376;1.0284,-1.3378,-2.8487;1.4319,2.9239,1.1429;1.5858,-2.6431,-2.2941;2.4423,2.008,1.3666;-.3738,-1.5043,-3.4268;2.9893,-2.5438,-1.7277;-.8223,-.3116,-4.2592;2.9823,-1.5318,1.8435;2.7951,-2.408,.6153;-6.2735,.0532,.6219;-6.6088,-1.6576,.4655;-5.1019,-1.7667,-1.5341;-6.4345,-.6581,-1.7759;-4.7899,-1.0287,2.1909;-4.3382,-2.2675,1.0515;-4.1069,.2039,-2.5116;-5.0145,1.2838,-1.4878;.6549,-.8449,.9986;1.6997,-.9723,-3.6335;1.0178,-.5613,-2.078;1.6282,-3.379,-3.1037;.9136,-3.0712,-1.5456;1.6348,3.985,1.1792;-.4056,-2.407,-4.0451;-1.0828,-1.6775,-2.611;3.4041,-3.5377,-1.5536;3.6458,-2.0164,-2.4204;-.802,.6116,-3.6825;-.1736,-.1762,-5.126;-1.8388,-.4456,-4.6309;2.129,-1.6894,2.5127;3.8639,-1.9074,2.3678; -1805.18565459 3093.28129609 -4898.46695068 -8624.28051490 3725.81356422 -3604.20782395 1799.02216936 2.00342602 111.000103297683 111.000103297683 222.000206595367 -147.730128637513 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 -2765.3196 -675.0248 -524.9305 -524.7612 -523.5335 -523.5007 -523.1672 -394.1280 -283.4790 -283.3396 -283.2924 -282.3812 -282.0404 -281.8536 -281.7477 -281.4996 -281.3625 -280.7527 -280.7286 -280.4482 -280.4200 -280.2887 -280.2867 -280.0730 -280.0666 -279.7577 -279.5153 -279.5083 -279.0881 -260.5873 -199.4297 -199.1868 -199.1723 -36.9804 -33.9314 -33.0848 -32.9446 -32.3642 -31.3099 -30.0098 -27.9843 -27.2841 -26.3755 -25.4438 -25.0638 -24.6821 -24.3376 -24.1065 -23.6953 -23.0522 -22.0526 -21.4563 -21.4397 -20.7097 -20.3372 -20.1179 -19.8973 -19.2084 -18.9849 -18.3317 -18.2447 -17.9222 -17.7899 -17.7780 -17.1617 -16.6759 -16.4926 -16.3395 -16.1186 -16.0505 -15.9963 -15.6902 -15.6516 -15.2864 -15.1659 -15.1232 -15.0742 -15.0661 -14.7613 -14.7374 -14.4820 -14.3835 -14.2905 -14.2468 -14.0432 -13.8858 -13.7383 -13.6225 -13.4888 -13.2627 -13.0141 -12.5742 -12.4672 -12.3576 -12.1873 -12.0616 -12.0539 -12.0344 -12.0086 -11.6939 -11.4941 -11.3635 -11.2237 -10.9578 -10.9275 -10.8050 -10.4506 -10.2257 -10.0801 -9.4475 -8.5741 -0.5003 0.9005 1.7411 2.1789 2.2947 2.8427 3.0849 3.2837 3.3377 3.5729 3.6468 3.8002 3.8792 3.9588 4.1717 4.2837 4.3518 4.5870 4.6238 4.7306 4.8104 4.9443 5.0343 5.1832 5.2591 5.3810 5.5336 5.5918 5.6392 5.7666 5.8511 5.9388 5.9459 6.1359 6.2106 6.3795 6.4850 6.6654 6.7605 6.9013 6.9616 7.0351 7.1381 7.1857 7.2913 7.5088 7.5688 7.6111 7.8413 7.9293 8.0681 8.1324 8.1762 8.3217 8.3672 8.4661 8.6754 8.8111 8.8615 8.9116 9.0583 9.2270 9.2580 9.3488 9.4550 9.5588 9.6384 9.7764 9.9060 9.9959 10.0671 10.2361 10.4792 10.5163 10.5475 10.6530 10.7789 10.8741 10.9691 11.1278 11.1759 11.3716 11.4889 11.5187 11.6671 11.7139 11.7723 11.9424 12.1352 12.2037 12.3191 12.3723 12.4663 12.5612 12.6284 12.7563 12.8304 12.9270 12.9522 13.0028 13.1254 13.1948 13.2393 13.2906 13.3409 13.4952 13.5779 13.6319 13.6894 13.7672 13.7787 13.8423 13.8886 13.9365 13.9692 14.0636 14.2639 14.3543 14.3669 14.5068 14.5754 14.6000 14.6656 14.7995 14.8815 14.9530 15.0656 15.1167 15.1324 15.3070 15.3727 15.4956 15.5583 15.6702 15.7905 15.9516 15.9672 16.1296 16.2244 16.2831 16.3579 16.4649 16.6067 16.6970 16.8475 17.0852 17.1666 17.2726 17.4561 17.5654 17.6641 17.7260 17.7570 18.0989 18.2686 18.2813 18.4980 18.5364 18.7703 18.8724 18.9508 19.0870 19.1199 19.3005 19.5451 19.6152 19.6842 19.9042 19.9423 20.1308 20.3699 20.5971 20.6721 20.8039 20.8884 21.0566 21.2416 21.3528 21.3832 21.5624 21.6208 21.7132 21.8511 21.9866 22.0659 22.3291 22.3458 22.4549 22.7724 22.8903 22.9921 23.0672 23.2358 23.2893 23.3276 23.4268 23.4287 23.6118 23.7311 23.8550 24.0015 24.0688 24.1539 24.2447 24.4114 24.6870 24.7812 24.8701 24.9791 25.1517 25.2713 25.3759 25.4987 25.5535 25.6552 25.8347 26.2229 26.3443 26.4244 26.6220 26.6996 26.8297 26.9497 27.1620 27.2897 27.4302 27.5787 27.6853 27.8669 28.0212 28.1188 28.2911 28.5242 28.5626 28.7753 28.9382 29.1351 29.2155 29.2758 29.3809 29.5459 29.6461 29.7026 29.8603 29.9979 30.0224 30.0954 30.3331 30.4906 30.6110 30.7591 30.8390 30.9595 31.0491 31.1797 31.2667 31.3784 31.4957 31.6740 31.7130 31.8455 32.0242 32.1782 32.2642 32.4319 32.5128 32.6593 32.6791 32.7970 32.9074 33.0189 33.0838 33.2920 33.3324 33.3983 33.4749 33.6526 33.7780 33.8810 34.0910 34.2486 34.4426 34.5333 34.6900 34.7462 34.8834 35.1852 35.2658 35.3449 35.4552 35.5028 35.7409 35.8027 35.9261 36.0939 36.2027 36.4408 36.6720 36.7491 36.8341 36.9139 36.9606 37.3012 37.3996 37.5083 37.6327 37.6928 37.7903 37.9529 38.0494 38.1845 38.2722 38.4001 38.6065 38.7023 38.7840 39.0850 39.3728 39.4865 39.5161 39.7435 39.8383 40.0645 40.3342 40.3856 40.6915 40.7178 40.8774 40.9679 41.2936 41.4507 41.5570 41.6445 41.7500 41.7954 41.9120 41.9731 42.0204 42.1596 42.2905 42.4087 42.5215 42.6271 42.7081 42.7955 43.0695 43.2102 43.2756 43.3841 43.5575 43.6749 43.8457 44.0000 44.0716 44.1592 44.3363 44.4479 44.6287 44.7454 44.9227 45.0061 45.1231 45.1899 45.2968 45.4954 45.6159 45.7291 45.9934 46.1836 46.2572 46.4276 46.5722 46.6716 46.7828 46.9247 46.9991 47.2970 47.3255 47.4060 47.7219 47.8109 47.8699 47.9483 48.1067 48.3104 48.3732 48.6356 48.9222 49.3293 49.5508 49.6351 49.7013 50.0065 50.1182 50.2837 50.6007 50.7753 50.9067 50.9220 51.2741 51.4935 51.6373 51.7161 52.1016 52.1905 52.3283 52.5654 52.8824 53.0206 53.0883 53.1789 53.2613 53.4070 53.8411 53.9506 54.3463 54.4164 54.7655 54.9642 55.3993 55.6340 55.9111 56.0371 56.5191 56.5921 56.8000 56.9406 57.0998 57.2090 57.2925 57.5127 57.9469 58.2524 58.2956 58.3683 58.6108 58.7457 59.1788 59.3746 59.4846 59.6480 59.7021 60.0947 60.2707 60.3729 60.6449 60.7679 60.8393 61.0454 61.0716 61.3046 61.5337 61.8398 62.0017 62.0210 62.2415 62.4446 62.5966 62.7739 62.8481 62.8815 63.0790 63.3169 63.4306 63.7499 63.9941 64.2744 64.3791 64.6307 64.7201 64.9759 65.2421 65.3108 65.4242 65.5166 65.7678 66.0735 66.2734 66.3530 66.6680 67.1122 67.1897 67.2851 67.6433 67.7185 68.1140 68.1537 68.3715 68.5395 69.0295 69.2526 69.4054 69.5630 69.6586 69.9762 70.1188 70.5349 70.6584 70.8174 70.9729 71.2689 71.4621 71.5502 71.8597 72.1997 72.2571 72.3762 72.5604 72.8016 72.8882 73.0774 73.3845 73.8383 73.8681 73.9993 74.2419 74.4853 74.5555 74.6217 74.8121 75.0240 75.0704 75.1835 75.2937 75.5648 75.8495 76.0221 76.0913 76.3468 76.4500 76.5971 76.7657 76.8162 76.8465 77.3024 77.4580 77.5500 77.7909 77.9140 78.2150 78.3476 78.5386 78.7626 78.8122 78.9708 79.0708 79.3209 79.5947 79.7506 79.9018 80.0086 80.1552 80.2393 80.3580 80.4222 80.5909 80.7272 80.8120 80.9191 81.0313 81.1682 81.2690 81.3095 81.4266 81.5830 81.7786 82.0853 82.1917 82.3288 82.4305 82.5023 82.5502 82.6768 82.7103 82.9312 82.9814 83.4847 83.5099 83.6642 83.7470 83.9434 84.1240 84.2521 84.4424 84.4760 84.5382 84.6786 84.7847 84.9656 84.9930 85.1501 85.2314 85.2984 85.4537 85.5404 85.6887 85.9728 86.0347 86.2595 86.3871 86.4547 86.6824 86.7883 86.8558 86.9187 87.0669 87.2467 87.4153 87.4483 87.5676 87.7112 87.8023 87.9307 88.0340 88.1158 88.2261 88.4135 88.5256 88.5852 88.6812 88.7230 88.9074 89.0286 89.1490 89.2046 89.3303 89.4406 89.5936 89.6980 89.7623 89.8507 89.9610 90.0265 90.1630 90.2540 90.3739 90.5546 90.6494 90.8116 90.8769 90.9822 91.0632 91.1406 91.3090 91.3907 91.5105 91.6589 91.7932 91.9503 91.9956 92.1233 92.2813 92.3603 92.6665 92.8787 92.9954 93.1946 93.3054 93.4785 93.6863 93.7591 93.8861 94.0146 94.0801 94.1549 94.3532 94.4355 94.4490 94.5284 94.6861 94.8442 95.0382 95.1643 95.2179 95.4896 95.6840 95.7985 95.9115 96.0391 96.3210 96.4112 96.4729 96.5551 96.6575 96.9375 97.0549 97.3058 97.4726 97.6800 97.8086 97.9692 98.3058 98.3221 98.3638 98.5298 98.6349 98.7137 99.0729 99.2259 99.3098 99.4297 99.5675 99.7613 99.8728 100.0685 100.1194 100.1586 100.2219 100.4225 100.5444 100.9116 100.9331 100.9980 101.3229 101.4062 101.5783 101.7115 101.8867 102.2054 102.3245 102.3917 102.4891 102.6590 102.7115 102.9360 103.1670 103.2268 103.3808 103.6153 103.7447 103.8102 104.0834 104.2629 104.3959 104.6092 104.7219 104.8193 104.9169 105.2806 105.3502 105.4062 105.5552 105.7584 105.8070 106.2222 106.5270 106.6361 106.6627 106.8697 107.0787 107.2773 107.3463 107.4692 107.6241 107.8966 108.0115 108.1200 108.2921 108.4699 108.6198 108.8274 108.9881 109.1912 109.3523 109.5504 109.6863 109.7173 109.9569 109.9729 110.0945 110.2714 110.3841 110.5285 110.7735 110.8078 110.9533 111.1001 111.3252 111.4402 111.5519 111.9051 111.9534 112.1981 112.2643 112.4895 112.4999 112.8093 112.9181 112.9951 113.2005 113.2732 113.4999 113.6165 113.6984 113.8005 114.0416 114.2023 114.3055 114.4503 114.5231 114.5996 114.8156 114.9135 115.0766 115.2063 115.2390 115.3570 115.7196 115.7802 115.9352 116.0366 116.1449 116.2315 116.4537 116.7623 116.9324 117.0880 117.1756 117.3410 117.4026 117.6110 117.6544 117.8536 117.9961 118.2740 118.3726 118.5715 118.6332 118.8292 119.0203 119.0591 119.1944 119.5660 119.6732 119.8799 119.9454 119.9998 120.1230 120.1971 120.4407 120.6002 120.7362 120.8063 121.1125 121.1345 121.4262 121.5628 121.6939 121.8200 121.9194 122.1286 122.2161 122.6709 122.9224 123.1043 123.5281 123.6842 123.9324 124.1816 124.2878 124.3515 124.7952 125.0374 125.1732 125.4033 125.5557 125.9409 126.0338 126.2413 126.3354 126.4399 126.6511 126.9499 127.2783 127.3252 127.8530 128.1018 128.3278 128.5082 128.7112 128.9004 129.3585 129.4842 129.8082 129.9087 130.2125 130.6662 130.7983 131.1261 131.2197 131.3539 131.6086 131.7847 131.9854 132.4228 132.5773 132.6115 132.9225 133.2148 133.4016 133.6090 133.7553 133.9488 133.9830 134.0732 134.4327 134.8877 134.9569 135.0881 135.2228 135.4481 135.7654 135.8824 136.1505 136.3707 136.4842 136.8893 137.2457 137.3750 137.4816 137.7110 137.8682 137.9448 138.0236 138.3862 138.6673 138.6854 138.8949 139.1790 139.2570 139.3476 139.7661 139.8437 140.7094 140.7941 141.0163 141.4230 141.8963 142.0533 142.2692 142.7078 142.9055 143.2034 143.4370 143.6072 143.8114 144.1211 144.1469 144.2442 144.3591 144.7729 145.0999 145.2526 145.8790 145.9667 146.4406 146.6278 146.7331 147.0184 147.2490 147.6116 147.7857 147.8599 148.1931 148.4788 148.6904 148.9351 149.1460 149.2322 149.5792 150.0504 150.2115 150.3564 150.4667 150.5757 150.8803 150.9823 151.0104 151.1471 151.4145 152.0107 152.2062 152.3368 152.5073 152.6309 152.7289 152.8797 153.1810 153.2527 153.4138 153.7234 153.8223 153.9254 154.1570 154.3561 154.4727 154.6901 154.7633 155.2345 155.3416 155.6083 155.8067 156.2073 156.3956 156.7155 156.8326 157.0466 157.3546 157.4321 157.7287 158.0472 158.4663 158.7333 158.9043 159.1724 159.4991 159.5537 159.8230 160.2135 160.3428 160.7702 161.2176 161.5569 162.4542 162.9192 163.7000 164.4114 165.4208 166.3497 167.5368 169.8810 170.3098 170.5870 171.4385 172.1524 173.1994 173.5150 174.0986 175.0858 176.4759 176.9259 177.2813 177.3545 179.5419 180.3821 180.6911 180.8377 182.1251 182.4146 185.0619 185.9141 186.2617 186.8470 187.8782 188.2566 188.6396 189.3752 189.4695 189.7562 190.1142 191.3106 192.9126 192.9763 193.4392 194.3178 195.2650 196.1791 196.3927 197.0467 197.6064 198.1507 199.4916 200.6266 201.6861 204.7181 205.6800 206.4615 207.9178 212.2533 221.7552 223.4946 223.7260 228.1335 229.9958 230.6081 236.2968 241.4146 248.2221 249.3882 295.0034 298.1077 313.4010 614.9464 617.6975 626.5036 632.1314 633.8733 634.8704 636.2313 636.4220 637.6830 637.9420 639.2789 640.1971 640.5657 641.4425 641.9355 642.5251 642.9903 646.5189 646.6600 649.8487 650.8533 716.1139 906.0998 1198.5044 1200.6484 1202.8756 1208.4088 1214.9239 1564.7821 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 -0.052966 -0.193694 -0.307997 -0.322176 -0.278022 -0.244597 -0.357120 -0.054231 -0.136942 -0.133828 -0.075196 -0.075730 -0.082360 -0.062985 0.244658 0.234291 0.038592 -0.215760 0.192291 0.327293 -0.107592 -0.113232 -0.137526 -0.021182 -0.093057 -0.003120 -0.275356 -0.018742 0.309840 0.076905 0.080713 0.075557 0.080065 0.095712 0.093747 0.092012 0.096670 0.112117 0.057082 0.072240 0.069731 0.082727 0.114993 0.061512 0.046894 0.107748 0.100578 0.102935 0.078367 0.075337 0.122268 0.120536 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 17.0530 9.1937 8.3080 8.3222 8.2780 8.2446 8.3571 7.0542 6.1369 6.1338 6.0752 6.0757 6.0824 6.0630 5.7553 5.7657 5.9614 6.2158 5.8077 5.6727 6.1076 6.1132 6.1375 6.0212 6.0931 6.0031 6.2754 6.0187 5.6902 0.9231 0.9193 0.9244 0.9199 0.9043 0.9063 0.9080 0.9033 0.8879 0.9429 0.9278 0.9303 0.9173 0.8850 0.9385 0.9531 0.8923 0.8994 0.8971 0.9216 0.9247 0.8777 0.8795 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 -0.0530 -0.1937 -0.3080 -0.3222 -0.2780 -0.2446 -0.3571 -0.0542 -0.1369 -0.1338 -0.0752 -0.0757 -0.0824 -0.0630 0.2447 0.2343 0.0386 -0.2158 0.1923 0.3273 -0.1076 -0.1132 -0.1375 -0.0212 -0.0931 -0.0031 -0.2754 -0.0187 0.3098 0.0769 0.0807 0.0756 0.0801 0.0957 0.0937 0.0920 0.0967 0.1121 0.0571 0.0722 0.0697 0.0827 0.1150 0.0615 0.0469 0.1077 0.1006 0.1029 0.0784 0.0753 0.1223 0.1205 1.2588 1.1095 2.2066 2.1722 2.1260 2.1642 2.1497 3.0418 3.9005 3.8969 3.9221 3.9274 3.6387 3.6443 4.2475 4.2096 3.6899 3.9587 4.1529 3.8772 3.8423 3.9760 3.8585 3.9358 3.8758 3.8858 3.9468 3.9533 4.1443 1.0084 1.0116 1.0092 1.0121 1.0185 1.0085 1.0175 1.0084 1.0306 1.0139 1.0162 1.0189 1.0233 1.0222 1.0086 1.0067 1.0134 0.9974 1.0074 1.0059 1.0059 1.0046 0.9971 1.2588 1.1095 2.2066 2.1722 2.1260 2.1642 2.1497 3.0418 3.9005 3.8969 3.9221 3.9274 3.6387 3.6443 4.2475 4.2096 3.6899 3.9587 4.1529 3.8772 3.8423 3.9760 3.8585 3.9358 3.8758 3.8858 3.9468 3.9533 4.1443 1.0084 1.0116 1.0092 1.0121 1.0185 1.0085 1.0175 1.0084 1.0306 1.0139 1.0162 1.0189 1.0233 1.0222 1.0086 1.0067 1.0134 0.9974 1.0074 1.0059 1.0059 1.0046 0.9971 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.1079 1.0630 2.1425 2.0758 1.1378 0.9770 0.8733 1.2150 1.9999 1.0876 1.1002 0.8598 0.9209 0.9261 1.0061 1.0097 0.9264 1.0067 1.0093 0.9861 1.0014 0.9874 0.9874 1.0016 0.9870 1.7250 0.9466 0.9526 1.3700 1.4107 1.3686 0.9375 1.4563 1.3028 0.9204 0.9388 1.0068 0.9966 1.3993 0.9691 0.9496 0.9976 1.0038 0.9428 1.0044 0.9979 1.0083 0.9870 0.9884 0.9969 1.0014 0.9180 1.0213 0.9581 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 -0.029240216 -1805.214894806971 -28.82176 27.61303 -1.20873 -29.53655 28.91095 -0.62560 -32.54885 31.82302 -0.72583 1.54247 3.92066