Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 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 C C H H H H H H H H H H H H H H H H H H H H H H 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-.3248,-3.4142,3.9522;2.3951,.789,-.3782;1.3403,-.2739,-2.0362;-3.4432,1.0545,-.471;2.4716,3.8487,.8522;2.9705,-1.4696,-.7036;3.2443,-2.4753,-1.8294;2.1678,-2.0238,.4594;4.1144,-1.8428,-2.9107;3.9268,-3.7175,-1.2706;2.1627,-.2779,-1.1584;.9044,-2.5738,.2562;2.6517,-1.927,1.7585;1.4175,1.8261,-.4214;.1374,-3.0128,1.3232;1.897,-2.361,2.8389;.1357,1.384,.246;.6403,-2.8954,2.6096;-1.0607,1.4709,-.4497;.178,.8529,1.5309;-2.2318,1.0391,.1628;2.0187,2.9478,.2993;-.9938,.3997,2.1143;-2.2017,.497,1.4396;-3.7687,2.0682,-1.3387;-4.4822,1.715,-2.475;-3.4665,3.3981,-1.0735;-4.899,2.7045,-3.3541;-3.8775,4.3748,-1.9694;-4.5934,4.0363,-3.1102;3.9293,-1.1137,-.3145;2.2918,-2.7766,-2.2751;3.6538,-.9651,-3.3654;5.0798,-1.537,-2.5013;4.3079,-2.5566,-3.7122;4.8655,-3.4614,-.7737;4.1598,-4.4162,-2.075;3.3018,-4.2457,-.5505;.4966,-2.6588,-.7433;3.6308,-1.5009,1.9384;1.228,2.1589,-1.4465;-.8446,-3.4314,1.1495;2.287,-2.2751,3.844;-1.0708,1.8669,-1.4578;1.1128,.7875,2.0732;-.9717,-.0256,3.1087;-3.1183,.1504,1.8995;-4.7149,.6748,-2.6649;-2.9221,3.6784,-.1807;-5.4599,2.4275,-4.2371;-3.6397,5.4107,-1.7661;-4.9137,4.805,-3.8005; 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 1714 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 220 Dim 1249 ENuc 2965.5226404101 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 5.871e-06 Time for diagonalization 0.380 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.385 sec Total time needed 0.777 sec 17 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-.3248,-3.4142,3.9522;2.3951,.789,-.3782;1.3403,-.2739,-2.0362;-3.4432,1.0545,-.471;2.4716,3.8487,.8522;2.9705,-1.4696,-.7036;3.2443,-2.4753,-1.8294;2.1678,-2.0238,.4594;4.1144,-1.8428,-2.9107;3.9268,-3.7175,-1.2706;2.1627,-.2779,-1.1584;.9044,-2.5738,.2562;2.6517,-1.927,1.7585;1.4175,1.8261,-.4214;.1374,-3.0128,1.3232;1.897,-2.361,2.8389;.1357,1.384,.246;.6403,-2.8954,2.6096;-1.0607,1.4709,-.4497;.178,.8529,1.5309;-2.2318,1.0391,.1628;2.0187,2.9478,.2993;-.9938,.3997,2.1143;-2.2017,.497,1.4396;-3.7687,2.0682,-1.3387;-4.4822,1.715,-2.475;-3.4665,3.3981,-1.0735;-4.899,2.7045,-3.3541;-3.8775,4.3748,-1.9694;-4.5934,4.0363,-3.1102;3.9293,-1.1137,-.3145;2.2918,-2.7766,-2.2751;3.6538,-.9651,-3.3654;5.0798,-1.537,-2.5013;4.3079,-2.5566,-3.7122;4.8654,-3.4614,-.7737;4.1598,-4.4162,-2.075;3.3018,-4.2457,-.5505;.4966,-2.6588,-.7433;3.6308,-1.5009,1.9384;1.228,2.1589,-1.4465;-.8446,-3.4314,1.1495;2.287,-2.2751,3.844;-1.0708,1.8669,-1.4578;1.1128,.7875,2.0732;-.9717,-.0256,3.1087;-3.1183,.1504,1.8995;-4.7149,.6748,-2.6649;-2.9221,3.6784,-.1807;-5.4599,2.4275,-4.2371;-3.6397,5.4107,-1.7661;-4.9137,4.805,-3.8005; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-.3248,-3.4142,3.9522;2.3951,.789,-.3782;1.3403,-.2739,-2.0362;-3.4432,1.0545,-.471;2.4716,3.8487,.8522;2.9705,-1.4696,-.7036;3.2443,-2.4753,-1.8294;2.1678,-2.0238,.4594;4.1144,-1.8428,-2.9107;3.9268,-3.7175,-1.2706;2.1627,-.2779,-1.1584;.9044,-2.5738,.2562;2.6517,-1.927,1.7585;1.4175,1.8261,-.4214;.1374,-3.0128,1.3232;1.897,-2.361,2.8389;.1357,1.384,.246;.6403,-2.8954,2.6096;-1.0607,1.4709,-.4497;.178,.8529,1.5309;-2.2318,1.0391,.1628;2.0187,2.9478,.2993;-.9938,.3997,2.1143;-2.2017,.497,1.4396;-3.7687,2.0682,-1.3387;-4.4822,1.715,-2.475;-3.4665,3.3981,-1.0735;-4.899,2.7045,-3.3541;-3.8775,4.3748,-1.9694;-4.5934,4.0363,-3.1102;3.9293,-1.1137,-.3145;2.2918,-2.7766,-2.2751;3.6538,-.9651,-3.3654;5.0798,-1.537,-2.5013;4.3079,-2.5566,-3.7122;4.8655,-3.4614,-.7737;4.1598,-4.4162,-2.075;3.3018,-4.2457,-.5505;.4966,-2.6588,-.7433;3.6308,-1.5009,1.9384;1.228,2.1589,-1.4465;-.8446,-3.4314,1.1495;2.287,-2.2751,3.844;-1.0708,1.8669,-1.4578;1.1128,.7875,2.0732;-.9717,-.0256,3.1087;-3.1183,.1504,1.8995;-4.7149,.6748,-2.6649;-2.9221,3.6784,-.1807;-5.4599,2.4275,-4.2371;-3.6397,5.4107,-1.7661;-4.9137,4.805,-3.8005; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3068 GEPOL Volume 2970.9284 GEPOL Surface-area 1681.1356 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1706.64325993 2965.52264041 -4672.16590034 -8225.64564289 3553.47974255 -0.03683184 -3407.16336422 1700.52010429 2.00360075 109.999986910537 109.999986910537 219.999973821074 -142.757214664852 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.2884 -525.2541 -524.6787 -523.5515 -392.9744 -283.7424 -282.8450 -281.7206 -281.5600 -281.4877 -281.3265 -280.5375 -280.2873 -280.2813 -280.0406 -280.0261 -280.0227 -279.9623 -279.9414 -279.9406 -279.8779 -279.8755 -279.8260 -279.8136 -279.7894 -279.7802 -279.7350 -279.6374 -279.0617 -279.0478 -260.5608 -199.3925 -199.1629 -199.1542 -34.2087 -32.9698 -31.6677 -28.4901 -27.7214 -27.2039 -26.6866 -26.5603 -25.5928 -25.2050 -24.1504 -23.8846 -23.8480 -23.6724 -23.4766 -22.9744 -22.0945 -21.5528 -20.6255 -20.2037 -20.0142 -19.7720 -19.4803 -19.2059 -19.0186 -18.2835 -18.0304 -17.5584 -17.2697 -16.9601 -16.9036 -16.4305 -16.1560 -16.0948 -15.8532 -15.7029 -15.5942 -15.4174 -15.0439 -14.8086 -14.7687 -14.6003 -14.4107 -14.3164 -14.1783 -14.0671 -13.8687 -13.8200 -13.7247 -13.4551 -13.3640 -13.1574 -13.0169 -12.9180 -12.8792 -12.7423 -12.5105 -12.4754 -12.3434 -12.3255 -12.2131 -12.1434 -11.9871 -11.7210 -11.6150 -11.5196 -11.3667 -11.2937 -11.2048 -10.7581 -9.7296 -9.5926 -9.4801 -9.4149 -8.9669 -8.4926 0.9262 1.0846 1.3067 1.4381 1.6989 2.0015 2.3667 2.5643 2.8944 3.0999 3.3188 3.6549 3.8226 3.8758 4.0238 4.2072 4.4738 4.5573 4.5746 4.7845 4.7982 4.8800 5.0524 5.1145 5.2780 5.3690 5.4126 5.5603 5.6553 5.8128 5.8202 5.9391 6.0147 6.1754 6.2979 6.3266 6.4374 6.6462 6.6911 6.7433 6.8611 6.9691 7.0871 7.2915 7.4241 7.5476 7.5988 7.6475 7.7398 7.8011 7.8024 7.9235 8.0774 8.1900 8.2179 8.2526 8.3671 8.4994 8.6261 8.6734 8.7940 8.8440 8.9250 9.0126 9.0292 9.1726 9.3026 9.4128 9.4279 9.4946 9.6216 9.7087 9.8956 9.9535 10.1397 10.3037 10.3964 10.4851 10.5543 10.5667 10.6542 10.8071 10.8656 11.0513 11.0986 11.2572 11.3107 11.3772 11.4036 11.5354 11.5873 11.6305 11.6979 11.7942 11.9362 12.0567 12.2270 12.2799 12.3667 12.4364 12.5664 12.6440 12.6757 12.7924 12.8699 12.9747 13.1350 13.2046 13.2547 13.3100 13.3848 13.4721 13.6067 13.7186 13.7869 13.8493 13.8940 13.9808 14.0540 14.0669 14.1298 14.1790 14.1841 14.3465 14.4356 14.5218 14.5897 14.6481 14.7452 14.8530 14.9220 15.0663 15.0807 15.2957 15.2981 15.3552 15.5611 15.5870 15.6443 15.7168 15.7973 15.8423 15.9556 16.0331 16.0909 16.2203 16.2917 16.4139 16.4756 16.5423 16.6824 16.7839 16.9023 17.0529 17.1614 17.4011 17.5055 17.5644 17.6974 17.7167 17.8494 17.9331 18.1106 18.1448 18.2495 18.4813 18.5887 18.7321 18.8788 18.9600 19.1777 19.3838 19.4337 19.5264 19.7804 19.8223 19.8570 20.0527 20.1524 20.3288 20.3856 20.5388 20.7059 20.7581 20.8255 21.0107 21.1050 21.2063 21.2977 21.4323 21.4686 21.5418 21.5931 21.7878 21.9609 22.1258 22.1885 22.3414 22.4303 22.5285 22.6922 22.7950 22.8455 22.9216 23.0164 23.2697 23.3604 23.4649 23.6129 23.6772 23.9064 23.9724 24.1336 24.2023 24.4510 24.5663 24.6624 24.8256 24.9598 25.0460 25.1062 25.3756 25.4842 25.5997 25.6314 25.8168 25.9734 26.0048 26.3284 26.3728 26.4907 26.7010 26.7678 26.8840 26.9981 27.2584 27.3187 27.4092 27.6410 27.7080 27.8021 27.8741 27.9364 28.2324 28.5031 28.6539 28.7565 28.8145 28.9344 28.9903 29.0904 29.3601 29.5219 29.5464 29.6325 29.6779 29.8024 30.0967 30.1621 30.2755 30.4373 30.4906 30.5588 30.7574 30.8407 31.0583 31.2350 31.3327 31.4214 31.6402 31.7298 31.8292 32.0167 32.0844 32.1916 32.3943 32.4716 32.6457 32.7013 32.8865 32.9163 33.1638 33.2526 33.3024 33.4144 33.5157 33.5997 33.7008 33.9039 34.0126 34.1785 34.2539 34.5867 34.7239 34.7667 34.9420 35.0531 35.2609 35.3805 35.4348 35.5385 35.7041 35.7679 35.8846 36.0251 36.1068 36.2697 36.5077 36.5860 36.6018 36.8366 36.8825 37.0149 37.2449 37.2858 37.3802 37.5244 37.6034 37.7346 37.8398 37.8602 38.0109 38.1072 38.2377 38.3522 38.4345 38.5935 38.7151 38.8098 38.8905 38.9133 39.0432 39.3020 39.3675 39.4918 39.5321 39.6113 39.6873 39.9120 40.0849 40.2388 40.2467 40.3942 40.5218 40.6678 40.8287 40.8927 41.0522 41.1344 41.2429 41.3283 41.3892 41.5188 41.7174 41.8578 41.9741 42.2260 42.2839 42.3825 42.5773 42.7568 42.8813 42.9898 43.2349 43.2458 43.4284 43.4590 43.7317 43.8153 43.8916 44.0764 44.1929 44.3083 44.3809 44.6892 44.7196 44.8190 44.9120 45.0915 45.1669 45.3906 45.4981 45.5463 45.6562 45.7966 46.0454 46.0741 46.2577 46.3327 46.4243 46.6474 46.8645 46.8939 47.1994 47.3085 47.3484 47.4977 47.5919 47.7400 47.9462 47.9766 48.0214 48.2059 48.3634 48.4331 48.6160 48.7983 48.8289 49.1514 49.2759 49.3804 49.5244 49.5347 49.8406 50.0146 50.2207 50.3047 50.4534 50.5592 50.6642 50.8832 51.0650 51.1156 51.2887 51.7294 51.7787 52.0755 52.2588 52.4665 52.5882 52.7672 52.8309 52.9283 52.9746 53.2806 53.3454 53.6481 53.9052 53.9460 54.0363 54.4690 54.8560 54.9469 55.1319 55.3668 55.5141 55.9210 55.9486 56.2342 56.3187 56.4558 56.6173 56.8392 57.0130 57.1560 57.2140 57.3840 57.5341 57.5452 57.8036 58.0720 58.2421 58.4903 58.7938 58.8512 59.1186 59.3016 59.3564 59.6588 59.7415 59.8408 59.9575 60.1431 60.2686 60.3601 60.4896 60.7384 61.0837 61.3585 61.5343 61.8194 62.0968 62.2722 62.6447 62.8135 63.2619 63.3545 63.5240 63.8376 63.8790 64.0719 64.1313 64.3224 64.3985 64.6458 64.7785 64.8936 65.1102 65.1394 65.3384 65.5826 65.6752 65.9272 66.0957 66.3637 66.3935 66.4738 66.7696 66.8590 66.9581 67.2960 67.3696 67.5155 67.7205 67.8919 68.0943 68.4776 68.7274 68.8452 69.0482 69.0720 69.2707 69.4018 69.6687 70.0783 70.4773 70.7348 70.8976 71.2487 71.6296 71.9584 72.1315 72.5123 72.6491 73.0809 73.3251 73.5113 73.6646 73.8488 74.2052 74.2605 74.5071 74.7414 74.8923 75.2081 75.2212 75.2313 75.3998 75.7316 75.8386 76.1927 76.3311 76.3765 76.6143 76.6639 76.7499 76.9170 77.0631 77.3410 77.4790 77.5659 77.7519 77.7854 78.0084 78.0757 78.3180 78.5107 78.5944 78.8337 78.8718 78.9824 79.0969 79.1605 79.3267 79.3923 79.5140 79.7080 79.7754 79.8310 79.9868 80.1157 80.2261 80.3083 80.3749 80.5636 80.6990 80.7794 80.9214 81.1502 81.2617 81.4985 81.5353 81.7202 81.8036 81.8795 82.0944 82.1276 82.2066 82.4168 82.6655 82.7236 82.7515 82.9961 83.1160 83.2727 83.4111 83.5397 83.7621 83.8352 83.9226 84.1155 84.2146 84.4317 84.5817 84.6387 84.6997 84.7724 84.8123 84.9523 85.2357 85.3072 85.4425 85.5478 85.6272 85.6630 85.7831 85.8524 85.9708 86.0291 86.1086 86.2228 86.3613 86.3846 86.4337 86.5677 86.6818 86.8338 86.9512 87.0580 87.1518 87.3179 87.4465 87.5679 87.7203 87.9329 88.0743 88.2243 88.3751 88.4107 88.4835 88.6957 88.8716 88.9730 89.0772 89.2296 89.3733 89.4684 89.6332 89.6619 89.6933 89.7391 89.8994 90.0004 90.0896 90.2547 90.3562 90.4254 90.6269 90.7450 90.9532 91.0808 91.1770 91.2803 91.4254 91.5651 91.6475 91.8323 91.9903 92.1487 92.2886 92.4609 92.5605 92.6474 92.6882 92.7802 92.8743 92.9037 93.0645 93.1758 93.3082 93.4142 93.5905 93.6623 93.7324 93.7721 93.9784 94.0436 94.1821 94.2731 94.3827 94.4229 94.5991 94.7496 94.8847 94.9554 95.0843 95.2604 95.3154 95.3524 95.5497 95.6435 95.7632 95.8584 96.1930 96.2302 96.3485 96.4510 96.4794 96.6804 96.8765 96.9968 97.0756 97.2072 97.2834 97.3886 97.5855 97.6078 97.8362 97.9251 98.0423 98.1214 98.1595 98.4041 98.4600 98.6131 98.6829 98.8887 98.9586 99.0100 99.0672 99.1266 99.4172 99.6859 99.7432 99.9324 100.0718 100.1331 100.2523 100.6021 100.7411 100.8640 100.9077 101.1624 101.2744 101.5925 101.7518 101.9882 102.0641 102.1987 102.3870 102.4985 102.6569 102.9527 103.0921 103.3302 103.5160 103.7315 103.8877 104.1483 104.2235 104.5781 104.7154 104.8739 104.9468 105.0634 105.1492 105.4749 105.5248 105.6366 105.7348 105.7676 105.8522 105.8975 106.0611 106.2071 106.3001 106.3872 106.4326 106.5098 106.6254 106.6930 106.9972 107.0611 107.1540 107.3597 107.5907 107.7188 107.7392 107.8319 107.8541 108.1374 108.3141 108.4567 108.6640 108.7648 108.8689 109.0357 109.2116 109.4494 109.5068 109.6732 109.8051 109.9750 110.1660 110.2058 110.3799 110.6178 110.7599 110.8761 111.1740 111.1918 111.3618 111.4310 111.6034 111.7856 112.1435 112.2375 112.3833 112.5464 112.7238 112.8559 113.0115 113.3722 113.5473 113.7064 113.7357 114.0326 114.3304 114.3796 114.5385 114.7011 114.7943 114.9273 115.0562 115.2031 115.3554 115.4933 115.6191 115.7629 115.8410 116.1110 116.2090 116.2558 116.4977 116.5400 116.6962 116.8766 117.1644 117.2122 117.4466 117.4735 117.7162 117.8789 117.9368 118.1370 118.1844 118.2887 118.3825 118.5237 118.5736 118.6624 118.7728 118.8630 119.0314 119.1341 119.1735 119.2891 119.4534 119.6438 119.7422 119.8145 120.0786 120.3185 120.3587 120.4565 120.5706 120.7726 120.8548 121.1300 121.1478 121.3213 121.5084 121.5604 121.8127 121.9143 122.1583 122.3472 122.4816 122.6487 122.7579 122.9497 123.1330 123.4035 123.6724 124.0116 124.3950 124.6093 124.8629 124.9468 125.3141 125.7713 125.9389 126.1177 126.2887 126.4006 126.7342 126.8502 126.9277 127.0752 127.4534 127.6289 127.8992 127.9672 128.1341 128.3846 128.5813 128.9276 129.1604 129.3472 129.4544 129.5763 129.9019 129.9681 130.2091 130.3074 130.5143 130.6613 130.7880 130.9046 131.1551 131.2542 131.5182 131.7479 131.8638 132.0374 132.1331 132.1483 132.3500 132.4445 132.8739 132.9163 133.1131 133.1813 133.3761 133.6032 133.6955 133.8715 134.1562 134.5645 134.7376 135.0583 135.2213 135.3365 135.5630 135.8271 135.9198 135.9580 136.7713 137.0319 137.2233 137.6453 137.9475 137.9711 138.3623 138.5075 138.6199 138.7352 139.0052 139.3162 139.5779 139.6904 139.7030 140.1896 140.5842 141.2704 141.4249 141.4433 142.0157 142.4294 142.8255 143.2221 143.7380 143.8719 144.0947 144.2814 144.3326 144.6080 144.7288 145.0175 145.2098 145.3711 145.6190 145.9413 146.1320 146.2791 146.3409 146.4928 146.9410 147.1499 147.6765 147.7543 147.9537 148.1390 148.2310 148.4432 148.5116 148.6780 148.7966 149.1247 149.1666 149.8618 150.0956 150.3859 150.4151 150.8702 151.1974 151.4782 151.5859 152.3431 152.6837 152.8269 152.8883 153.1663 153.7057 154.3130 154.5100 154.7552 155.2284 155.4599 155.8364 156.0719 156.1254 156.4335 156.4993 156.9043 157.2140 157.5455 157.5851 157.8535 157.9871 158.5757 159.0684 159.3150 159.6050 159.8353 160.1492 160.5501 160.7266 160.7914 161.4710 161.9511 162.4258 162.8791 163.0870 163.3579 163.3837 164.3856 165.1128 167.0431 167.9646 169.3074 170.2342 171.5821 171.7921 172.1781 172.8105 173.8003 174.2656 174.8850 177.6642 178.2235 178.9704 179.3533 180.6194 181.8854 185.1783 186.6219 187.2905 187.3921 189.2940 189.5294 190.8408 192.1418 193.7306 195.2078 196.1126 198.3006 202.0795 204.6591 206.5412 206.9332 221.7406 223.1246 224.0539 227.4687 229.8235 295.4759 297.6534 313.0185 618.1000 619.0127 622.0032 627.6936 630.5684 631.5930 632.4186 633.4152 634.1639 634.4767 634.5041 635.1142 636.2952 636.5559 636.7061 637.1445 637.7592 638.8112 642.8402 643.5971 646.5874 648.8471 656.0947 657.3844 658.0345 713.4591 876.4103 1202.1295 1213.7410 1214.6979 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 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 C C H H H H H H H H H H H H H H H H H H H H H H -0.101343 -0.276332 -0.440193 -0.336197 -0.098767 0.152969 0.059980 -0.003286 -0.294170 -0.311761 0.325625 -0.182701 -0.204356 0.407435 -0.183318 -0.145266 0.070392 0.116048 -0.196808 -0.291235 0.291062 -0.224152 -0.133519 -0.219041 0.296020 -0.258277 -0.198831 -0.121109 -0.142789 -0.192297 0.098878 0.046735 0.093693 0.089693 0.094419 0.091495 0.098145 0.097768 0.144734 0.141548 0.143094 0.144188 0.143694 0.149019 0.159546 0.156071 0.149329 0.148452 0.159719 0.162019 0.162368 0.161608 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 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 C C H H H H H H H H H H H H H H H H H H H H H H 17.1013 8.2763 8.4402 8.3362 7.0988 5.8470 5.9400 6.0033 6.2942 6.3118 5.6744 6.1827 6.2044 5.5926 6.1833 6.1453 5.9296 5.8840 6.1968 6.2912 5.7089 6.2242 6.1335 6.2190 5.7040 6.2583 6.1988 6.1211 6.1428 6.1923 0.9011 0.9533 0.9063 0.9103 0.9056 0.9085 0.9019 0.9022 0.8553 0.8585 0.8569 0.8558 0.8563 0.8510 0.8405 0.8439 0.8507 0.8515 0.8403 0.8380 0.8376 0.8384 17.0000 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 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1013 -0.2763 -0.4402 -0.3362 -0.0988 0.1530 0.0600 -0.0033 -0.2942 -0.3118 0.3256 -0.1827 -0.2044 0.4074 -0.1833 -0.1453 0.0704 0.1160 -0.1968 -0.2912 0.2911 -0.2242 -0.1335 -0.2190 0.2960 -0.2583 -0.1988 -0.1211 -0.1428 -0.1923 0.0989 0.0467 0.0937 0.0897 0.0944 0.0915 0.0981 0.0978 0.1447 0.1415 0.1431 0.1442 0.1437 0.1490 0.1595 0.1561 0.1493 0.1485 0.1597 0.1620 0.1624 0.1616 1.1998 2.1514 2.0533 2.0716 3.1100 3.6549 3.8127 3.4644 3.9288 3.9481 4.2683 3.9273 3.9808 3.7369 4.0010 3.9787 3.5352 3.7578 3.9570 3.9611 3.7253 4.0881 3.8772 4.0121 3.6711 4.0107 3.9122 3.8759 3.8819 3.9031 1.0375 1.0274 1.0129 1.0019 1.0042 1.0018 1.0042 1.0008 1.0146 1.0039 1.0159 1.0076 1.0056 1.0079 1.0009 0.9926 1.0047 1.0077 0.9960 0.9878 0.9892 0.9895 1.1998 2.1514 2.0533 2.0716 3.1100 3.6549 3.8127 3.4644 3.9288 3.9481 4.2683 3.9273 3.9808 3.7369 4.0010 3.9787 3.5352 3.7578 3.9570 3.9611 3.7253 4.0881 3.8772 4.0121 3.6711 4.0107 3.9122 3.8759 3.8819 3.9031 1.0375 1.0274 1.0129 1.0019 1.0042 1.0018 1.0042 1.0008 1.0146 1.0039 1.0159 1.0076 1.0056 1.0079 1.0009 0.9926 1.0047 1.0077 0.9960 0.9878 0.9892 0.9895 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.9860 1.1923 0.8594 1.9037 0.9557 0.9238 3.0556 0.9535 0.7765 0.9397 1.0218 0.9318 0.9300 0.9892 0.1041 1.2868 1.3207 0.9914 0.9890 0.9988 0.9894 1.0000 0.9900 1.4680 0.9977 1.4568 1.0051 0.8691 0.9398 0.9829 1.3440 0.9960 1.3684 0.9891 1.3695 1.3153 1.3810 0.9576 1.4149 0.9865 1.3898 1.4239 0.9916 0.9866 1.3804 1.3502 1.4313 0.9847 1.4176 0.9693 1.4029 0.9779 1.4112 0.9763 0.9822 0 17 1 10 1 13 2 10 3 20 3 24 4 21 5 6 5 7 5 10 5 30 6 8 6 9 6 31 7 10 7 11 7 12 8 32 8 33 8 34 9 35 9 36 9 37 11 14 11 38 12 15 12 39 13 16 13 21 13 40 14 17 14 41 15 17 15 42 16 18 16 19 18 20 18 43 19 22 19 44 20 23 22 23 22 45 23 46 24 25 24 26 25 27 25 47 26 28 26 48 27 29 27 49 28 29 28 50 29 51 -0.031227176 -1706.674487105775 12.15403 -11.86408 0.28995 -3.75557 2.90715 -0.84842 -22.25168 21.41867 -0.83301 1.22385 3.11077