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 Cl F F F 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 C C 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 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 6 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:3.7279,-3.9167,1.4991;4.1083,-5.101,-2.1767;3.6624,-6.2621,-.4186;5.5175,-5.1898,-.5509;-1.1712,-.7885,-1.0102;-.0684,-.5084,.9178;-2.1939,3.9235,1.8739;-4.3325,-1.5214,-1.6648;2.4217,-.4476,-.9861;2.3036,-1.7967,-.3345;1.1084,-1.1963,-1.0512;2.5906,.752,-.0859;3.1702,-.31,-2.2913;2.9449,-2.9847,-.9017;-.0652,-.7932,-.2479;3.5726,-3.9325,-.2153;-2.3767,-.3558,-.384;4.2188,-5.1292,-.8468;-2.4996,1.1472,-.4266;-3.463,-1.0111,-1.1148;-2.333,1.8753,.7416;-2.7409,1.799,-1.6299;-2.4094,3.2607,.7066;-2.808,3.1818,-1.6535;-2.6407,3.9211,-.4931;-2.9567,5.012,2.1914;-4.3212,5.0616,1.9336;-2.3234,6.0612,2.8412;-5.0445,6.1785,2.322;-3.062,7.1671,3.2326;-4.4222,7.2349,2.9705;2.2362,-1.771,.7468;.8624,-1.612,-2.0218;3.6532,.9225,.0929;2.1867,1.6485,-.5593;2.1059,.635,.8794;2.8853,.6175,-2.7894;4.246,-.2754,-2.1127;2.9759,-1.1221,-2.9907;2.9089,-3.1036,-1.9771;-2.416,-.7039,.6526;-2.1314,1.3777,1.6815;-2.8843,1.2345,-2.5425;-2.9922,3.6954,-2.5875;-2.6921,5.0018,-.5234;-4.8193,4.2372,1.4396;-1.2617,6.0026,3.0411;-6.1069,6.2158,2.1204;-2.5662,7.9832,3.7411;-4.9938,8.1016,3.273; 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 1730 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 232 Dim 1238 ENuc 3012.3638944331 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.776e-06 Time for diagonalization 0.425 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.379 sec Total time needed 0.819 sec 17 9 9 9 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:3.7279,-3.9167,1.4991;4.1083,-5.101,-2.1767;3.6624,-6.2621,-.4186;5.5175,-5.1898,-.5509;-1.1712,-.7885,-1.0102;-.0684,-.5084,.9178;-2.1939,3.9235,1.8739;-4.3325,-1.5214,-1.6648;2.4217,-.4476,-.9861;2.3036,-1.7967,-.3345;1.1084,-1.1963,-1.0511;2.5906,.752,-.0859;3.1702,-.31,-2.2913;2.9449,-2.9847,-.9017;-.0652,-.7932,-.2479;3.5726,-3.9325,-.2153;-2.3767,-.3558,-.384;4.2188,-5.1292,-.8468;-2.4996,1.1472,-.4266;-3.463,-1.0111,-1.1148;-2.333,1.8753,.7416;-2.7409,1.799,-1.6299;-2.4094,3.2607,.7066;-2.808,3.1818,-1.6535;-2.6407,3.9211,-.4931;-2.9567,5.012,2.1914;-4.3212,5.0616,1.9336;-2.3234,6.0612,2.8412;-5.0445,6.1785,2.322;-3.062,7.1671,3.2326;-4.4222,7.2349,2.9705;2.2362,-1.771,.7468;.8624,-1.612,-2.0218;3.6532,.9225,.0929;2.1867,1.6485,-.5593;2.1059,.635,.8794;2.8853,.6175,-2.7894;4.246,-.2754,-2.1127;2.9759,-1.1221,-2.9907;2.9089,-3.1036,-1.9771;-2.416,-.7039,.6526;-2.1314,1.3777,1.6815;-2.8843,1.2345,-2.5425;-2.9922,3.6954,-2.5875;-2.6921,5.0018,-.5234;-4.8193,4.2372,1.4396;-1.2617,6.0026,3.0411;-6.1069,6.2158,2.1204;-2.5662,7.9832,3.7411;-4.9938,8.1016,3.273; 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 4 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:3.7279,-3.9167,1.4991;4.1083,-5.101,-2.1767;3.6624,-6.2621,-.4186;5.5175,-5.1898,-.5509;-1.1712,-.7885,-1.0102;-.0684,-.5084,.9178;-2.1939,3.9235,1.8739;-4.3325,-1.5214,-1.6648;2.4217,-.4476,-.9861;2.3036,-1.7967,-.3345;1.1084,-1.1963,-1.0512;2.5906,.752,-.0859;3.1702,-.31,-2.2913;2.9449,-2.9847,-.9017;-.0652,-.7932,-.2479;3.5726,-3.9325,-.2153;-2.3767,-.3558,-.384;4.2188,-5.1292,-.8468;-2.4996,1.1472,-.4266;-3.463,-1.0111,-1.1148;-2.333,1.8753,.7416;-2.7409,1.799,-1.6299;-2.4094,3.2607,.7066;-2.808,3.1818,-1.6535;-2.6407,3.9211,-.4931;-2.9567,5.012,2.1914;-4.3212,5.0616,1.9336;-2.3234,6.0612,2.8412;-5.0445,6.1785,2.322;-3.062,7.1671,3.2326;-4.4222,7.2349,2.9705;2.2362,-1.771,.7468;.8624,-1.612,-2.0218;3.6532,.9225,.0929;2.1867,1.6485,-.5593;2.1059,.635,.8794;2.8853,.6175,-2.7894;4.246,-.2754,-2.1127;2.9759,-1.1221,-2.9907;2.9089,-3.1036,-1.9771;-2.416,-.7039,.6526;-2.1314,1.3777,1.6815;-2.8843,1.2345,-2.5425;-2.9922,3.6954,-2.5875;-2.6921,5.0018,-.5234;-4.8193,4.2372,1.4396;-1.2617,6.0026,3.0411;-6.1069,6.2158,2.1204;-2.5662,7.9832,3.7411;-4.9938,8.1016,3.273; -1928.16594906 3012.36389443 -4940.52984349 -8631.41131277 3690.88146928 -3849.84927121 1921.68332216 2.00337341 115.999961329379 115.999961329379 231.999922658757 -157.120983800984 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.7359 -675.6590 -675.4698 -675.4647 -525.4609 -524.8096 -523.5729 -392.8449 -286.8771 -283.9213 -283.1111 -282.0894 -281.9603 -281.7519 -281.1644 -281.0578 -281.0011 -280.8673 -280.8366 -280.8002 -280.3613 -280.2936 -280.2767 -280.2508 -280.0930 -280.0772 -280.0216 -280.0199 -279.9612 -279.8890 -279.7520 -261.0037 -199.8465 -199.5990 -199.5918 -39.4274 -36.9301 -36.7973 -34.3804 -33.2409 -31.7967 -28.4097 -28.3273 -27.7818 -27.4761 -26.8925 -25.6558 -24.8565 -24.5279 -24.0467 -23.9228 -23.6903 -23.3391 -23.0563 -22.5235 -21.5900 -20.9201 -20.5110 -20.2871 -19.9752 -19.5781 -19.4565 -19.3690 -18.9386 -18.6323 -18.3588 -18.2525 -17.6728 -17.2544 -17.2315 -16.7242 -16.4824 -16.3643 -16.2210 -16.1114 -15.9865 -15.9733 -15.7959 -15.4978 -15.3381 -15.1039 -15.0135 -14.9423 -14.7520 -14.6977 -14.5937 -14.5037 -14.2547 -14.2236 -14.1432 -14.0615 -13.8570 -13.6563 -13.5533 -13.3739 -13.2929 -13.2750 -13.1930 -13.0558 -12.8608 -12.7442 -12.5736 -12.4692 -12.2837 -12.2453 -11.9408 -11.7782 -11.6380 -11.5993 -11.0336 -10.8359 -9.9865 -9.7113 -9.6307 -9.5984 -8.7001 0.6809 0.8716 1.1786 1.4952 1.8197 1.8733 2.5299 2.5735 2.8624 2.9829 3.3646 3.4817 3.4962 3.6287 3.9987 4.1450 4.1823 4.3100 4.4164 4.5029 4.6092 4.7654 4.7771 4.8703 4.9971 5.1259 5.2558 5.3630 5.5640 5.6810 5.7220 5.8167 5.9255 5.9569 6.0730 6.2539 6.3944 6.4895 6.6169 6.6820 6.7694 6.8824 6.9816 7.1220 7.3241 7.3635 7.4094 7.4863 7.6543 7.6932 7.7582 7.8392 7.9488 8.0094 8.0289 8.1335 8.2194 8.3497 8.4255 8.5703 8.5808 8.6737 8.8372 9.0254 9.1208 9.1713 9.2618 9.3184 9.4031 9.4319 9.5333 9.7244 9.8432 9.9007 9.9345 10.0684 10.1625 10.2246 10.4886 10.5485 10.6698 10.8438 10.8798 10.9844 11.1036 11.1657 11.2355 11.3469 11.3782 11.4900 11.5721 11.6409 11.7113 11.8543 11.8962 12.0140 12.0893 12.1267 12.2789 12.3779 12.4245 12.5645 12.6073 12.6613 12.7262 12.8882 12.9988 13.0516 13.2258 13.2390 13.3597 13.3860 13.5215 13.5383 13.6102 13.7108 13.7495 13.7972 13.8958 13.9435 14.0792 14.1660 14.3299 14.3887 14.5145 14.6186 14.7459 14.7980 14.8487 14.9501 15.0277 15.1781 15.3324 15.4193 15.5198 15.6321 15.6740 15.7068 15.8203 15.9596 16.0405 16.1365 16.1538 16.2606 16.3203 16.4257 16.5344 16.5896 16.7714 16.9026 17.0061 17.1431 17.1969 17.2903 17.3690 17.4496 17.6338 17.7709 18.0274 18.0815 18.2042 18.3211 18.4575 18.6463 18.7908 18.9049 19.0396 19.2207 19.4265 19.4927 19.6241 19.6575 20.0960 20.1337 20.1838 20.3074 20.3903 20.4239 20.5923 20.7094 20.8955 20.9485 21.0421 21.0866 21.1795 21.2617 21.3684 21.4594 21.6344 21.6934 21.8771 21.9435 22.2688 22.4094 22.5564 22.6941 22.7744 22.8409 22.9091 23.0996 23.1439 23.2048 23.4327 23.5491 23.8016 23.8561 23.8930 24.0021 24.0687 24.2192 24.3237 24.3544 24.5515 24.6168 24.7015 24.8576 24.9607 25.1206 25.4480 25.4777 25.7452 25.7941 26.0992 26.1565 26.2416 26.5710 26.6292 26.7940 26.8489 26.9840 27.0270 27.1823 27.2896 27.3448 27.4663 27.5483 27.5864 27.7085 27.9700 28.1185 28.1222 28.3920 28.5470 28.6213 28.7218 28.8102 28.9384 29.0980 29.2016 29.3946 29.5707 29.6537 29.7295 29.8437 29.9198 30.1690 30.2905 30.3571 30.4858 30.6442 30.6765 30.9112 31.0471 31.2333 31.5075 31.5245 31.6130 31.7313 31.9481 32.1068 32.1821 32.2658 32.4618 32.5435 32.6065 32.8742 32.9175 33.0884 33.2342 33.3842 33.4768 33.5675 33.8080 33.8430 34.0189 34.1021 34.4036 34.6454 34.7928 34.8379 34.9644 35.0554 35.1554 35.3201 35.4078 35.6046 35.6616 35.7827 35.9866 36.0616 36.1846 36.3275 36.4548 36.6670 36.7850 36.8189 37.0290 37.1045 37.1820 37.2738 37.4262 37.6591 37.6814 37.8176 37.9776 38.0609 38.1169 38.2757 38.3941 38.4834 38.5593 38.6312 38.8111 38.9357 39.0128 39.0974 39.3232 39.6417 39.6553 39.7770 39.9527 40.1999 40.4006 40.4702 40.5338 40.7445 40.8156 40.9914 41.1438 41.2592 41.3741 41.4560 41.6467 41.7966 41.9313 42.0118 42.2703 42.2846 42.4703 42.5490 42.8751 43.0956 43.2848 43.2992 43.4010 43.4400 43.6054 43.6499 43.8004 43.9592 44.0607 44.1621 44.2727 44.3828 44.5843 44.7650 44.9000 45.0180 45.0674 45.2971 45.4347 45.5595 45.6653 45.9097 45.9714 46.3017 46.4311 46.5168 46.7304 46.8210 46.9274 47.1705 47.3641 47.3896 47.5940 47.6234 47.8409 47.8879 48.1774 48.2454 48.6087 48.7639 48.9135 48.9947 49.1166 49.5423 49.6985 49.8653 50.0259 50.1895 50.3850 50.4270 50.6149 50.7987 50.9183 51.1442 51.3576 51.6214 51.8418 51.9984 52.0515 52.2001 52.4010 52.5939 52.6790 52.7942 52.8344 52.9161 52.9895 53.4330 53.7206 54.0682 54.1830 54.4611 54.7152 54.8820 55.1453 55.3374 55.3780 55.4199 55.6950 55.7459 55.9183 56.0563 56.2915 56.4587 56.6737 56.8201 57.0119 57.1972 57.4717 57.6494 57.8241 58.1642 58.3886 58.5779 58.7803 59.0240 59.3023 59.4191 59.4576 59.5360 59.6403 59.9862 60.2798 60.3277 60.4566 60.6035 60.6306 61.0504 61.2041 61.3859 61.4859 62.1022 62.1892 62.4269 62.8038 63.1204 63.2849 63.4186 63.6177 63.7374 63.8533 64.0647 64.3513 64.4112 64.5858 64.6176 64.7975 64.9432 65.0702 65.1800 65.2451 65.5660 65.8949 66.0796 66.1708 66.3623 66.5819 66.7003 66.9476 67.1241 67.1789 67.2878 67.3097 67.4706 67.8908 68.1751 68.5604 68.6608 68.7884 68.9020 68.9981 69.1347 69.6835 69.7835 70.4314 70.6580 70.7920 70.9885 71.1599 71.6641 71.7821 71.8590 71.9940 72.3471 72.3966 72.6250 72.7966 72.8421 73.2061 73.3899 73.6495 73.7330 73.9877 74.1416 74.3346 74.4793 74.5314 74.5526 74.8387 74.9443 75.2103 75.5860 75.8821 75.9956 76.2666 76.3481 76.7286 76.8494 76.9209 77.1173 77.2335 77.2692 77.4830 77.7119 77.7898 77.9442 78.0158 78.1198 78.4770 78.5491 78.5859 78.7467 78.8028 78.9423 79.0580 79.1465 79.1912 79.3199 79.4223 79.5387 79.6486 79.8153 79.9618 80.1313 80.3010 80.5284 80.7120 80.7684 81.0103 81.0288 81.3189 81.3441 81.4093 81.6765 81.8094 81.8650 81.9054 82.0948 82.2927 82.4585 82.5229 82.6499 82.8054 82.9193 83.0646 83.2591 83.4488 83.6174 83.8265 83.8736 84.0004 84.1177 84.2912 84.3926 84.4312 84.6159 84.6737 84.8175 84.9654 84.9838 85.1190 85.2310 85.2599 85.4072 85.4163 85.4318 85.5625 85.6967 85.8729 86.1311 86.2434 86.3952 86.4888 86.6412 86.7991 86.9424 87.0127 87.2101 87.3553 87.5373 87.6087 87.6894 87.7739 87.8361 87.8551 88.1963 88.3298 88.4383 88.4665 88.5796 88.7483 88.8345 88.8862 88.9576 89.0983 89.1820 89.3553 89.4631 89.5482 89.6384 89.8225 89.8664 89.9844 90.0899 90.3064 90.4582 90.6345 90.7472 90.8720 91.0879 91.1652 91.2873 91.5540 91.6714 91.7323 91.8915 92.0102 92.2509 92.2675 92.4062 92.4672 92.4710 92.6126 92.6737 92.8404 92.9882 93.1113 93.1826 93.3166 93.3705 93.4456 93.5548 93.6889 93.7603 93.9164 94.0235 94.1643 94.3853 94.4120 94.4459 94.6837 94.8938 95.0068 95.1221 95.1389 95.2647 95.4450 95.5645 95.8015 95.9886 96.1700 96.2260 96.4376 96.5043 96.5818 96.7687 96.8602 96.9521 97.0535 97.2626 97.4472 97.6882 97.7668 97.8464 97.9031 98.0839 98.1634 98.3454 98.3940 98.6559 98.7460 98.8155 98.9719 99.1495 99.2220 99.4821 99.6901 99.8426 100.0206 100.1567 100.2069 100.4347 100.9572 101.0325 101.2375 101.3417 101.5026 101.8000 102.2361 102.3961 102.5065 102.5656 102.8137 103.0570 103.2085 103.7698 103.8000 104.1246 104.2212 104.3701 104.5287 104.6478 104.9079 105.0407 105.1283 105.1514 105.2525 105.3335 105.4226 105.5150 105.6188 105.7798 105.9963 106.1290 106.1791 106.2373 106.4212 106.5348 106.6606 106.9326 106.9876 107.0870 107.1573 107.4003 107.5054 107.5987 107.9135 108.0151 108.0809 108.2869 108.3725 108.6387 108.9376 109.0155 109.1137 109.1823 109.3236 109.4678 109.6635 109.7286 109.9837 110.2426 110.3138 110.4365 110.4790 110.6183 110.6815 110.8145 110.9992 111.0619 111.1680 111.3283 111.5085 111.5168 111.7545 111.8639 112.0469 112.3813 112.5256 112.6000 112.6980 112.8014 112.9518 113.1325 113.3428 113.4959 113.7597 113.9981 114.1301 114.2213 114.3731 114.4217 114.7371 114.9446 115.0979 115.2152 115.3844 115.4647 115.7697 116.0170 116.0760 116.1564 116.2634 116.3368 116.4448 116.6075 116.7360 116.9174 117.1440 117.3482 117.4655 117.5862 117.7336 117.7966 118.0097 118.1160 118.1938 118.3909 118.4854 118.5817 118.6849 118.9372 118.9928 119.2073 119.4176 119.6807 119.7440 119.8604 120.1062 120.2289 120.3430 120.6050 120.7413 120.9603 121.3255 121.4700 121.7099 121.9551 122.0270 122.3516 122.6198 122.8596 122.9858 123.1511 123.4481 123.6613 123.7481 124.1331 124.1800 124.5804 125.1230 125.4143 125.5083 125.5515 126.2037 126.2364 126.4336 126.6981 126.9906 127.2358 127.4731 127.7796 128.0678 128.2155 128.6000 128.7583 128.8118 128.9905 129.1472 129.4718 129.5410 129.6302 129.7756 129.9135 130.0426 130.2627 130.5266 130.8208 131.0454 131.2211 131.2909 131.8216 131.9120 132.1729 132.2829 132.5061 132.6146 132.9050 133.0477 133.2308 133.8985 134.0394 134.1180 134.5767 134.6946 134.9492 135.2933 135.4390 135.7088 135.9345 136.4496 136.7918 136.9101 137.2929 137.7755 137.9303 138.1176 138.1976 138.3037 138.6483 138.8265 138.9022 139.2147 139.2348 139.8506 140.6541 140.7971 141.0129 141.2432 141.4378 141.7885 142.1747 142.7759 142.9915 143.7316 143.9058 144.0040 144.0483 144.1662 144.2641 144.6326 144.8063 145.0149 145.2473 145.4062 145.6852 145.8202 146.0168 146.2224 146.6079 146.7648 147.0572 147.1537 147.5882 147.6237 147.8723 147.9773 148.1719 148.6486 148.7346 149.1536 149.3906 149.6719 150.0507 150.1102 150.2801 150.7747 151.2391 151.4418 151.6538 152.0109 152.1910 152.3798 152.6401 153.1121 153.5281 154.3414 154.4742 154.6232 155.4912 155.6580 156.4917 156.7665 156.8465 156.9442 157.0980 157.3146 157.4471 158.4005 158.8623 159.0878 159.2429 159.3334 159.6835 160.2545 160.4736 161.4064 161.6607 161.7974 162.4860 164.1683 164.2689 164.3029 165.1790 166.9165 167.9944 169.0631 170.3459 171.6625 172.3032 172.3852 172.6818 174.3034 175.5457 177.5576 178.5779 179.1005 180.7228 182.1974 184.8952 185.8407 186.5245 187.2551 187.3223 188.3625 188.5531 188.7922 188.8391 188.8814 188.9298 189.0791 189.1059 189.4307 189.7672 192.0581 192.0661 192.3319 192.3595 192.9978 193.3811 194.4510 194.9991 195.5254 196.2002 196.6693 198.7068 202.1009 202.9789 203.0890 203.8678 204.7298 206.3500 206.4100 206.8392 209.2705 209.4965 221.7888 223.2239 223.4555 226.8306 227.7440 228.4622 228.5392 229.1826 232.4851 233.1872 234.9998 238.8292 240.9628 241.5518 244.2423 245.6182 246.9022 247.3720 249.8289 251.3128 294.8054 297.7074 312.3099 615.5498 617.8339 620.1816 625.4009 625.4994 629.1305 630.8487 631.3119 632.4554 633.8487 634.2445 635.1054 636.3981 636.6589 637.0229 637.3646 639.9055 641.9684 643.0052 646.9679 650.0671 657.1221 657.9876 708.8548 876.5809 1200.2218 1212.5093 1214.8235 1557.2566 1559.0113 1560.8142 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 Cl F F F 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 C C H H H H H H H H H H H H H H H H H H H -0.047458 -0.170171 -0.158509 -0.159804 -0.257986 -0.380000 -0.296222 -0.000167 0.057724 0.035757 -0.099192 -0.247117 -0.243172 -0.152666 0.366574 -0.076908 0.312282 0.506532 0.000167 -0.256677 -0.141066 -0.165238 0.180277 -0.114064 -0.141952 0.237162 -0.154722 -0.208285 -0.121362 -0.092167 -0.141719 0.091300 0.084867 0.092015 0.089939 0.104187 0.096267 0.101939 0.074976 0.116260 0.121982 0.120439 0.123375 0.132432 0.137503 0.133797 0.126545 0.128972 0.126031 0.127323 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 Cl F F F 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 C C H H H H H H H H H H H H H H H H H H H 17.0475 9.1702 9.1585 9.1598 8.2580 8.3800 8.2962 7.0002 5.9423 5.9642 6.0992 6.2471 6.2432 6.1527 5.6334 6.0769 5.6877 5.4935 5.9998 6.2567 6.1411 6.1652 5.8197 6.1141 6.1420 5.7628 6.1547 6.2083 6.1214 6.0922 6.1417 0.9087 0.9151 0.9080 0.9101 0.8958 0.9037 0.8981 0.9250 0.8837 0.8780 0.8796 0.8766 0.8676 0.8625 0.8662 0.8735 0.8710 0.8740 0.8727 17.0000 9.0000 9.0000 9.0000 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 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 -0.0475 -0.1702 -0.1585 -0.1598 -0.2580 -0.3800 -0.2962 -0.0002 0.0577 0.0358 -0.0992 -0.2471 -0.2432 -0.1527 0.3666 -0.0769 0.3123 0.5065 0.0002 -0.2567 -0.1411 -0.1652 0.1803 -0.1141 -0.1420 0.2372 -0.1547 -0.2083 -0.1214 -0.0922 -0.1417 0.0913 0.0849 0.0920 0.0899 0.1042 0.0963 0.1019 0.0750 0.1163 0.1220 0.1204 0.1234 0.1324 0.1375 0.1338 0.1265 0.1290 0.1260 0.1273 1.2882 1.1325 1.1480 1.1457 2.1393 2.1232 2.1081 3.1170 3.7782 3.8016 3.8900 3.9154 3.9090 3.8882 4.2274 4.0675 3.8307 4.4818 3.6594 4.0212 4.0267 4.0347 3.9236 3.9532 3.9534 3.8033 3.9269 4.0335 3.9530 3.9392 3.9594 1.0513 1.0354 1.0011 1.0018 1.0207 1.0042 1.0019 1.0108 1.0288 1.0179 1.0323 1.0156 1.0005 1.0013 1.0035 1.0134 0.9997 0.9988 0.9999 1.2882 1.1325 1.1480 1.1457 2.1393 2.1232 2.1081 3.1170 3.7782 3.8016 3.8900 3.9154 3.9090 3.8882 4.2274 4.0675 3.8307 4.4818 3.6594 4.0212 4.0267 4.0347 3.9236 3.9532 3.9534 3.8033 3.9269 4.0335 3.9530 3.9392 3.9594 1.0513 1.0354 1.0011 1.0018 1.0207 1.0042 1.0019 1.0108 1.0288 1.0179 1.0323 1.0156 1.0005 1.0013 1.0035 1.0134 0.9997 0.9988 0.9999 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1760 1.1184 1.1467 1.1449 1.1462 0.8675 1.9283 0.9744 0.9523 3.0586 0.8945 0.8734 0.9670 0.9593 0.9109 1.0167 0.9884 1.0474 1.0151 0.9878 0.9905 0.9824 0.9886 0.9921 0.9867 1.8487 0.9399 1.0101 0.9215 0.9169 1.0039 1.3748 1.3805 1.4567 0.9526 1.4696 0.9656 1.3911 1.4207 0.9710 0.9605 1.3636 1.4179 1.4315 0.9652 1.4457 0.9711 1.4363 0.9716 1.4249 0.9749 0.9765 0 15 1 17 2 17 3 17 4 14 4 16 5 14 6 22 6 25 7 19 8 9 8 10 8 11 8 12 9 10 9 13 9 31 10 14 10 32 11 33 11 34 11 35 12 36 12 37 12 38 13 15 13 39 15 17 16 18 16 19 16 40 18 20 18 21 20 22 20 41 21 23 21 42 22 24 23 24 23 43 24 44 25 26 25 27 26 28 26 45 27 29 27 46 28 30 28 47 29 30 29 48 30 49 -0.023838613 -1928.189787669151 -25.84064 26.19799 0.35735 56.57437 -54.35580 2.21857 -1.00181 0.69297 -0.30883 2.26829 5.76553