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 52 53 54 55 Cl O O O O O N N C C C C C C C C C C C C C C C C C C C C C H H H H 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 2 2 2 2 3 3 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 5 5 5 5 5 395.6880999999997 AuxInfo=1/0/N:29,25,26,17,22,28,10,11,13,14,23,24,19,20,27,18,15,12,16,21,9,1,7,8,4,6,3,5,2/E:(2,3)(7,8)(9,10)(11,12)(13,14)/CRV:11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,25.1,26.1/rA:56nClOOO1OO1NNCCCC3CCC3C3CC3C3C3C3CC3C3CCC3CCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3;s7;s9;s9;s2s9;s8s10;s8s11;s12;s4s7s15;s7;s15;s18;s18;s2s5s6;s3;s19;s20;s19;s20;s1s23s24;s5;s28;s10;s10;s11;s11;s13;s13;s14;s14;s17;s17;s17;s22;s22;s22;s23;s24;s25;s25;s25;s26;s26;s26;s28;s28;s29;s29;s29;/rC:6.0426,.1942,.7252;-.7155,-1.1725,.6659;-5.4674,-.4446,-.089;.0721,3.3677,-.3685;.6371,-1.7943,-.9629;.6295,-2.8852,1.0012;-1.8161,2.0618,-.3032;-4.3934,-1.3074,.2389;-2.1764,.682,-.0046;-3.1078,.6077,1.2186;-2.8405,.0113,-1.2221;-.8109,.1122,.2584;-3.7402,-.768,1.4205;-3.486,-1.3344,-.8966;.1651,1.0082,.1198;-.4862,2.2917,-.2182;-2.787,3.1011,-.5225;1.6143,.8381,.2867;2.4524,.9749,-.8307;2.1482,.5248,1.544;.2595,-2.0166,.2673;-6.6822,-1.1528,-.0068;3.8188,.7706,-.6846;3.5212,.3274,1.6671;1.9129,1.348,-2.1794;1.2899,.4076,2.7703;4.3355,.4464,.5577;1.7013,-2.6279,-1.4781;1.8783,-2.3146,-2.9388;-3.906,1.3402,1.0803;-2.5667,.9041,2.1202;-2.1099,-.1118,-2.0252;-3.611,.6847,-1.6035;-2.997,-1.5029,1.7332;-4.4705,-.7166,2.2302;-4.0304,-1.6971,-1.7704;-2.7315,-2.0921,-.678;-2.2904,3.9708,-.9455;-3.2801,3.409,.4016;-3.5515,2.7798,-1.2293;-6.7273,-1.9876,-.7132;-7.4728,-.4448,-.2595;-6.8732,-1.5379,.9997;4.4724,.8655,-1.5422;3.9442,.0878,2.6343;.9611,.8622,-2.3956;2.6135,1.0801,-2.9691;1.7492,2.4245,-2.2483;1.8841,.5596,3.6705;.8342,-.5806,2.8562;.4834,1.1405,2.7768;2.6118,-2.4231,-.9124;1.4339,-3.6758,-1.3368;2.6475,-2.9737,-3.3417;.9622,-2.4912,-3.5028;2.202,-1.2883,-3.1049; 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 1720 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 224 Dim 1288 ENuc 3252.5620925903 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 3.243e-06 Time for diagonalization 0.777 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.683 sec Total time needed 1.471 sec 17 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.6880999999997 AuxInfo=1/0/N:29,25,26,17,22,28,10,11,13,14,23,24,19,20,27,18,15,12,16,21,9,1,7,8,4,6,3,5,2/E:(2,3)(7,8)(9,10)(11,12)(13,14)/CRV:11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,25.1,26.1/rA:56nClOOO1OO1NNCCCC3CCC3C3CC3C3C3C3CC3C3CCC3CCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3;s7;s9;s9;s2s9;s8s10;s8s11;s12;s4s7s15;s7;s15;s18;s18;s2s5s6;s3;s19;s20;s19;s20;s1s23s24;s5;s28;s10;s10;s11;s11;s13;s13;s14;s14;s17;s17;s17;s22;s22;s22;s23;s24;s25;s25;s25;s26;s26;s26;s28;s28;s29;s29;s29;/rC:6.0426,.1942,.7252;-.7155,-1.1725,.6659;-5.4674,-.4446,-.089;.0721,3.3677,-.3685;.6371,-1.7943,-.9629;.6295,-2.8852,1.0012;-1.8161,2.0618,-.3032;-4.3934,-1.3074,.2389;-2.1764,.682,-.0046;-3.1078,.6077,1.2186;-2.8405,.0113,-1.2221;-.8109,.1122,.2584;-3.7402,-.768,1.4205;-3.486,-1.3344,-.8966;.1651,1.0082,.1198;-.4862,2.2917,-.2182;-2.787,3.1011,-.5225;1.6143,.8381,.2867;2.4524,.9749,-.8307;2.1482,.5248,1.544;.2595,-2.0166,.2673;-6.6822,-1.1528,-.0068;3.8188,.7706,-.6846;3.5212,.3274,1.6671;1.9129,1.348,-2.1794;1.2899,.4076,2.7703;4.3355,.4464,.5577;1.7013,-2.6279,-1.4781;1.8783,-2.3147,-2.9388;-3.906,1.3402,1.0803;-2.5667,.9041,2.1202;-2.1099,-.1118,-2.0252;-3.611,.6847,-1.6035;-2.997,-1.5029,1.7332;-4.4705,-.7166,2.2302;-4.0304,-1.6971,-1.7704;-2.7315,-2.0921,-.678;-2.2904,3.9708,-.9455;-3.2801,3.409,.4016;-3.5515,2.7798,-1.2293;-6.7273,-1.9876,-.7132;-7.4728,-.4448,-.2595;-6.8732,-1.5379,.9997;4.4724,.8654,-1.5422;3.9442,.0878,2.6343;.9611,.8622,-2.3956;2.6135,1.0801,-2.9691;1.7492,2.4245,-2.2483;1.8841,.5596,3.6705;.8342,-.5806,2.8562;.4834,1.1405,2.7768;2.6118,-2.4231,-.9124;1.4339,-3.6758,-1.3368;2.6475,-2.9737,-3.3417;.9622,-2.4912,-3.5028;2.202,-1.2883,-3.1049; 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 "1-OCTANOL" 395.6880999999997 AuxInfo=1/0/N:29,25,26,17,22,28,10,11,13,14,23,24,19,20,27,18,15,12,16,21,9,1,7,8,4,6,3,5,2/E:(2,3)(7,8)(9,10)(11,12)(13,14)/CRV:11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,25.1,26.1/rA:56nClOOO1OO1NNCCCC3CCC3C3CC3C3C3C3CC3C3CCC3CCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3;s7;s9;s9;s2s9;s8s10;s8s11;s12;s4s7s15;s7;s15;s18;s18;s2s5s6;s3;s19;s20;s19;s20;s1s23s24;s5;s28;s10;s10;s11;s11;s13;s13;s14;s14;s17;s17;s17;s22;s22;s22;s23;s24;s25;s25;s25;s26;s26;s26;s28;s28;s29;s29;s29;/rC:6.0426,.1942,.7252;-.7155,-1.1725,.6659;-5.4674,-.4446,-.089;.0721,3.3677,-.3685;.6371,-1.7943,-.9629;.6295,-2.8852,1.0012;-1.8161,2.0618,-.3032;-4.3934,-1.3074,.2389;-2.1764,.682,-.0046;-3.1078,.6077,1.2186;-2.8405,.0113,-1.2221;-.8109,.1122,.2584;-3.7402,-.768,1.4205;-3.486,-1.3344,-.8966;.1651,1.0082,.1198;-.4862,2.2917,-.2182;-2.787,3.1011,-.5225;1.6143,.8381,.2867;2.4524,.9749,-.8307;2.1482,.5248,1.544;.2595,-2.0166,.2673;-6.6822,-1.1528,-.0068;3.8188,.7706,-.6846;3.5212,.3274,1.6671;1.9129,1.348,-2.1794;1.2899,.4076,2.7703;4.3355,.4464,.5577;1.7013,-2.6279,-1.4781;1.8783,-2.3146,-2.9388;-3.906,1.3402,1.0803;-2.5667,.9041,2.1202;-2.1099,-.1118,-2.0252;-3.611,.6847,-1.6035;-2.997,-1.5029,1.7332;-4.4705,-.7166,2.2302;-4.0304,-1.6971,-1.7704;-2.7315,-2.0921,-.678;-2.2904,3.9708,-.9455;-3.2801,3.409,.4016;-3.5515,2.7798,-1.2293;-6.7273,-1.9876,-.7132;-7.4728,-.4448,-.2595;-6.8732,-1.5379,.9997;4.4724,.8655,-1.5422;3.9442,.0878,2.6343;.9611,.8622,-2.3956;2.6135,1.0801,-2.9691;1.7492,2.4245,-2.2483;1.8841,.5596,3.6705;.8342,-.5806,2.8562;.4834,1.1405,2.7768;2.6118,-2.4231,-.9124;1.4339,-3.6758,-1.3368;2.6475,-2.9737,-3.3417;.9622,-2.4912,-3.5028;2.202,-1.2883,-3.1049; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3254 GEPOL Volume 2896.6677 GEPOL Surface-area 1602.5629 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.1s -1762.46336278 3252.56209259 -5015.02545537 -8880.78321074 3865.75775537 -0.03830218 -3518.62299940 1756.15963662 2.00358949 112.000025554438 112.000025554438 224.000051108875 -145.905091828790 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.2389 -525.5474 -525.1976 -524.1059 -523.4637 -522.5103 -393.5805 -393.2929 -285.0470 -282.5147 -282.0939 -281.4392 -281.4151 -281.3153 -280.4799 -280.3063 -280.2784 -280.2420 -280.1848 -280.1652 -280.1611 -280.0847 -279.8068 -279.8060 -279.6735 -279.6707 -279.3648 -279.3457 -279.3177 -260.5120 -199.3437 -199.1140 -199.1054 -35.2809 -32.9100 -32.5759 -31.7988 -31.7051 -29.4981 -27.7072 -27.2380 -26.5643 -25.6287 -24.7610 -24.6827 -24.4936 -23.9299 -23.5145 -22.6352 -22.3712 -21.8321 -21.6615 -21.3219 -20.6653 -20.5383 -20.1781 -19.1958 -18.8926 -18.7319 -18.4351 -18.3318 -17.6802 -17.0973 -16.9647 -16.7726 -16.5212 -16.3275 -16.0301 -15.7079 -15.6689 -15.5862 -15.3711 -15.1160 -14.8874 -14.7540 -14.6528 -14.5361 -14.3810 -14.1377 -14.0870 -13.9294 -13.8885 -13.8499 -13.7943 -13.6381 -13.5072 -13.4356 -13.2501 -13.2147 -13.1285 -13.0923 -12.8747 -12.7965 -12.6232 -12.5589 -12.2846 -12.1957 -12.1136 -12.0653 -11.8053 -11.5508 -11.4261 -11.3538 -11.1539 -10.9787 -10.0668 -9.9677 -9.6405 -9.2070 -9.1060 -8.8226 -8.7364 0.9687 1.5455 1.6031 2.8449 2.9011 3.1325 3.3778 3.5711 3.6320 3.8646 4.0518 4.2020 4.3957 4.4418 4.6684 4.7295 4.7577 4.8164 4.9369 5.0002 5.0693 5.2592 5.2762 5.3553 5.4227 5.5197 5.5966 5.7115 5.7592 5.8950 5.9387 6.0657 6.1504 6.2105 6.3488 6.4573 6.5358 6.7671 6.7763 6.8408 7.0191 7.0811 7.1354 7.1714 7.3474 7.4188 7.5114 7.6850 7.7657 7.8796 7.9441 7.9829 8.0882 8.3453 8.3865 8.4732 8.4887 8.6494 8.7495 8.8619 8.9924 9.0142 9.0984 9.1926 9.2996 9.5122 9.5497 9.6366 9.7342 9.9368 9.9582 10.1455 10.2302 10.3385 10.4733 10.5957 10.7397 10.7903 10.9018 10.9891 11.1829 11.2805 11.3510 11.4794 11.6489 11.7230 11.7672 11.8149 11.9361 11.9448 12.1021 12.1261 12.2514 12.2753 12.4581 12.5591 12.7055 12.8193 12.8655 12.9657 12.9786 13.1462 13.2976 13.3574 13.3797 13.4268 13.6111 13.6682 13.7251 13.8011 13.8896 13.9210 13.9778 14.0340 14.0964 14.2549 14.2889 14.3520 14.4495 14.5480 14.6110 14.7202 14.8174 14.8712 14.9541 15.0467 15.1106 15.1657 15.3334 15.4046 15.4528 15.5235 15.6262 15.6837 15.7820 15.8908 15.9469 16.0403 16.1029 16.2447 16.3076 16.3376 16.4711 16.5806 16.6065 16.7921 16.8602 17.0221 17.0501 17.1604 17.2618 17.3715 17.5703 17.6837 17.7694 17.8936 18.0503 18.1014 18.2297 18.3853 18.4647 18.5305 18.6623 18.8297 19.0236 19.2927 19.3619 19.4276 19.4989 19.6091 19.6362 19.8198 19.9623 20.0097 20.2252 20.3530 20.4339 20.5687 20.7784 20.8621 21.1266 21.1395 21.2059 21.3752 21.4299 21.5371 21.7540 21.8675 21.9686 22.0911 22.2259 22.4332 22.4808 22.7692 22.9686 23.0340 23.2192 23.3163 23.5005 23.6474 23.6893 23.7590 23.8673 24.0240 24.1859 24.3159 24.4670 24.6151 24.7030 24.8413 25.0951 25.2738 25.3141 25.4644 25.6707 25.7017 25.7470 25.8667 26.0074 26.1712 26.2115 26.4115 26.4723 26.5863 26.8912 27.0113 27.0949 27.1358 27.2654 27.3694 27.5772 27.6679 27.9229 27.9590 28.0728 28.3508 28.4606 28.6340 28.7077 28.7412 28.8845 29.0359 29.1037 29.2931 29.4140 29.4789 29.5524 29.6295 29.7083 29.9719 30.1141 30.1857 30.2444 30.4018 30.5309 30.6408 30.6865 30.7874 31.0131 31.1174 31.2033 31.3128 31.4394 31.4931 31.5955 31.6955 31.8436 31.9069 32.1614 32.2481 32.4360 32.4838 32.6186 32.8068 32.8718 32.8927 33.1263 33.1619 33.4021 33.6110 33.6682 33.6966 34.0503 34.1475 34.2380 34.3287 34.3998 34.5606 34.6782 34.8158 34.8808 35.0176 35.0475 35.1643 35.3433 35.4879 35.5626 35.7322 35.9082 36.0087 36.0262 36.1496 36.3066 36.4150 36.4927 36.5540 36.8038 36.8994 36.9747 37.1200 37.2131 37.4243 37.5373 37.6332 37.7656 37.9257 37.9840 38.0955 38.3102 38.4616 38.6087 38.6776 38.8183 38.9255 38.9887 39.1150 39.3867 39.4216 39.6590 39.7638 39.7877 39.8971 40.1046 40.3753 40.5553 40.5843 40.7278 40.9957 41.0679 41.2002 41.3804 41.5390 41.6039 41.7439 41.8276 41.9449 42.0259 42.1765 42.2601 42.4528 42.5403 42.7036 42.7666 42.9913 43.0414 43.2392 43.2730 43.4579 43.5504 43.6795 43.8401 43.9499 44.0486 44.1052 44.2075 44.5016 44.6751 44.7329 44.8139 44.8274 44.9731 45.0329 45.2173 45.3244 45.5280 45.6051 45.8085 45.8770 46.0174 46.1035 46.1443 46.2412 46.4739 46.5229 46.6845 46.8275 46.9167 47.1011 47.3671 47.4909 47.6729 47.7734 47.9610 48.1450 48.2092 48.5198 48.6971 48.8447 48.8834 49.0115 49.1283 49.3084 49.4139 49.6264 49.6957 49.8570 49.9541 50.1232 50.3848 50.5128 50.6177 50.8482 51.0221 51.2760 51.3310 51.5372 51.5946 51.7328 51.8222 52.0441 52.1616 52.3241 52.6052 52.6979 52.7739 53.1336 53.2416 53.3542 53.5207 53.7937 53.9708 54.0961 54.4242 54.6373 54.8890 55.1232 55.2284 55.3670 55.7147 56.1642 56.3090 56.3672 56.7853 56.8511 57.1705 57.3225 57.3544 57.5004 57.7185 57.8583 57.9855 58.2627 58.3990 58.7294 58.8587 59.0692 59.3050 59.4096 59.4995 59.6209 59.7387 59.8145 59.9453 60.0714 60.4382 60.6351 60.9115 60.9606 61.0944 61.1888 61.3975 62.0553 62.1003 62.1578 62.4765 62.5547 62.7012 63.0210 63.0991 63.2707 63.5371 63.6491 63.8556 64.0629 64.2480 64.3223 64.4935 64.6703 64.8296 64.9837 65.2903 65.4175 65.5751 65.6225 65.8356 65.9443 66.0943 66.2083 66.4236 66.5665 66.7234 66.8356 66.9658 67.2032 67.4610 67.6711 68.3687 68.5269 68.6885 69.0325 69.3679 69.5263 69.6392 70.0865 70.2079 70.5670 70.8767 71.1279 71.2977 71.4262 71.6445 71.9645 72.1043 72.1736 72.2425 72.3716 72.6230 72.7565 72.9627 73.0921 73.2783 73.4190 73.6416 73.8135 74.1356 74.3143 74.4095 74.6388 74.8718 75.1180 75.3506 75.4574 75.6890 75.8206 76.0864 76.1882 76.2174 76.3962 76.4752 76.8914 77.0389 77.2957 77.3921 77.6338 77.7745 77.9677 78.0686 78.2004 78.3242 78.5267 78.6404 78.6633 78.8905 78.9154 79.0221 79.1598 79.2834 79.5113 79.6607 79.6872 79.8056 79.9307 80.1131 80.2849 80.3226 80.3519 80.5792 80.8086 80.8731 81.0619 81.1435 81.2491 81.3619 81.6137 81.6523 81.7283 81.9511 82.0386 82.2166 82.3196 82.4778 82.5656 82.6544 82.7059 82.8712 82.9541 83.1926 83.2255 83.3087 83.5423 83.5743 83.7356 83.8210 83.8919 84.0434 84.2613 84.2972 84.3445 84.4998 84.5931 84.7186 84.7353 84.8707 85.0551 85.1373 85.3301 85.4492 85.5127 85.5454 85.6361 85.6489 86.0011 86.1482 86.2756 86.4930 86.5587 86.5765 86.7777 86.8766 86.9656 87.2468 87.2842 87.4272 87.5894 87.7307 87.7836 87.8677 87.9791 88.2193 88.3919 88.4867 88.5235 88.7159 88.8004 88.8844 88.9592 89.1616 89.2386 89.4240 89.5790 89.7336 89.8843 90.0217 90.0565 90.1152 90.3024 90.4128 90.6429 90.7268 90.8146 91.0631 91.1392 91.2929 91.3381 91.5407 91.5869 91.6703 91.8856 92.0847 92.2367 92.2993 92.3594 92.4279 92.6626 92.7700 92.9214 93.0467 93.1170 93.2684 93.4878 93.5630 93.6872 93.8380 93.9506 94.0710 94.0914 94.3734 94.5520 94.6608 94.7556 94.8937 95.1044 95.1484 95.1809 95.3187 95.5175 95.7020 95.7886 95.8662 96.0307 96.1647 96.5269 96.5388 96.6439 96.8201 96.9183 96.9821 97.1172 97.1593 97.2126 97.3912 97.5459 97.7506 97.8216 97.8825 98.0065 98.2774 98.4021 98.4874 98.5797 98.6793 98.7719 98.8409 98.9850 99.1270 99.2923 99.3570 99.4184 99.5037 99.7223 99.8877 99.9448 99.9566 100.2303 100.2746 100.4364 100.5883 100.8659 100.9500 101.0640 101.1857 101.2612 101.3160 101.4575 101.5097 101.6372 101.6987 102.0044 102.1359 102.2339 102.3359 102.3564 102.6246 102.7053 102.8342 102.8982 103.1472 103.2834 103.4733 103.5469 103.6559 103.6982 103.8919 103.9836 104.1625 104.2368 104.4211 104.6709 104.9320 105.0380 105.1369 105.3278 105.5218 105.7673 105.9233 105.9680 106.2942 106.5812 106.7239 106.8191 106.8997 106.9383 107.4304 107.5702 107.7331 107.9986 108.0773 108.2775 108.4692 108.5249 108.5750 108.7297 108.8290 108.9583 109.1309 109.2027 109.3239 109.5701 109.6417 109.8526 110.1020 110.1525 110.3037 110.3344 110.5588 110.7479 110.8026 110.9341 111.0857 111.3572 111.3750 111.4686 111.7440 111.8610 112.0435 112.1316 112.2654 112.3811 112.5810 112.6753 112.7719 112.9716 113.2375 113.3301 113.5308 113.6960 113.7611 113.8104 113.9765 114.0845 114.1819 114.2335 114.3462 114.4917 114.5875 114.6813 114.7787 114.9490 115.0188 115.3556 115.5246 115.6439 115.7026 115.7536 115.9528 116.0826 116.2571 116.3530 116.4463 116.5616 116.6581 116.8672 117.0535 117.1374 117.1614 117.3128 117.6284 117.6952 117.9015 118.0316 118.1211 118.2439 118.2959 118.4144 118.4679 118.7516 118.8244 118.9535 119.1311 119.2972 119.3460 119.5100 119.6136 119.7211 119.9480 119.9972 120.3110 120.4744 120.6926 120.7724 120.8536 121.0865 121.3283 121.7683 122.0107 122.1227 122.2333 122.2890 122.3559 122.7043 122.8375 123.0879 123.3790 123.5023 123.6439 123.6712 123.9195 124.1722 124.2556 124.3970 124.6845 124.8410 125.1073 125.2800 125.4870 125.5335 125.9058 125.9919 126.1538 126.2892 126.5335 126.7837 127.1236 127.2377 127.3524 127.6473 127.7200 127.7668 128.0808 128.2352 128.4041 128.8804 129.1635 129.3978 129.4567 129.7255 129.8514 130.1358 130.3944 130.7098 131.0657 131.3148 131.4850 131.5658 131.6962 131.9455 132.1648 132.2338 132.6090 132.7940 133.0556 133.0782 133.3863 133.6343 133.7430 134.0070 134.1165 134.3372 134.4628 134.5342 134.7170 134.8286 135.0138 135.1873 135.4128 135.5836 136.0287 136.1420 136.5016 136.6300 136.7879 137.1232 137.3432 137.4432 137.6079 137.7797 137.9432 138.0484 138.1700 138.2720 138.5410 138.7712 138.8050 139.0134 139.2072 139.6777 139.9152 140.1749 140.4693 140.9015 141.0642 141.4119 141.4900 141.8833 142.1928 142.2584 142.6692 142.7779 142.9276 143.2811 143.5449 143.7462 143.7722 143.9202 143.9900 144.1177 144.4117 144.5404 144.8800 145.0968 145.2184 145.3185 145.6338 145.8082 146.0423 146.2642 146.5483 146.6700 146.7965 147.0907 147.2865 147.5161 147.6701 147.7124 147.8322 148.1500 148.2795 148.4522 148.5531 148.6867 148.7729 148.8987 148.9845 149.2723 149.4371 149.5773 149.6208 149.7838 150.0218 150.3575 150.4105 150.6942 150.8081 150.8672 151.1139 151.2074 151.3951 151.5519 151.6026 151.8548 152.0580 152.2727 152.5099 152.7246 152.9549 153.0127 153.4276 153.4950 153.5631 153.8524 153.9568 154.4008 154.4401 154.5364 154.6831 155.0132 155.3509 155.4230 155.6120 156.1282 156.4221 156.5559 156.7410 157.0401 157.3572 157.4757 157.6002 157.6925 157.8931 158.1681 158.4585 158.7048 158.7724 158.9282 159.2426 159.6748 160.1723 160.2749 160.5682 160.9015 161.1033 161.4900 162.1375 162.3285 162.5567 163.0626 163.6908 163.8307 164.1685 164.9797 165.5217 165.8151 166.4378 166.5822 167.4285 168.2970 168.9135 169.4749 170.6747 170.8805 170.9954 171.5897 172.0043 173.0450 174.1162 175.0708 176.2783 177.0754 177.7619 177.8819 178.8242 180.1538 181.0027 181.1867 183.6944 185.0850 186.8204 187.3882 187.4971 187.9456 188.7041 190.0758 190.1849 190.7877 192.6288 193.1164 193.8451 194.4736 195.3269 196.3617 197.2201 199.1488 200.3814 201.5908 202.2908 206.4812 209.1980 209.2531 214.8131 221.7316 223.2520 223.7298 227.6851 229.6961 295.0460 297.8010 312.7852 617.1784 624.4746 628.0824 630.2153 634.4520 635.4719 636.6143 638.3232 642.0013 642.5329 643.3952 644.1951 644.8173 644.9654 646.1681 646.8561 647.5397 648.4756 648.6437 649.6643 658.8354 713.7675 892.7327 907.3508 1199.8996 1202.4580 1206.6533 1209.6027 1217.4120 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Cl O O O O O N N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.098174 -0.309387 -0.334498 -0.521702 -0.251142 -0.414992 -0.122731 -0.044013 0.478424 -0.196408 -0.215258 0.011668 -0.131624 -0.125525 0.132644 0.276950 -0.174339 0.030100 -0.203414 -0.135329 0.495097 -0.095925 -0.122878 -0.119363 -0.286939 -0.237904 0.114170 0.015564 -0.266153 0.100549 0.099876 0.095841 0.102399 0.107404 0.097127 0.096806 0.105454 0.105609 0.110886 0.113934 0.089970 0.107641 0.089904 0.121305 0.120330 0.105632 0.107739 0.124006 0.106711 0.102580 0.107301 0.116280 0.122362 0.099680 0.093122 0.102634 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 Cl O O O O O N N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H 17.0982 8.3094 8.3345 8.5217 8.2511 8.4150 7.1227 7.0440 5.5216 6.1964 6.2153 5.9883 6.1316 6.1255 5.8674 5.7231 6.1743 5.9699 6.2034 6.1353 5.5049 6.0959 6.1229 6.1194 6.2869 6.2379 5.8858 5.9844 6.2662 0.8995 0.9001 0.9042 0.8976 0.8926 0.9029 0.9032 0.8945 0.8944 0.8891 0.8861 0.9100 0.8924 0.9101 0.8787 0.8797 0.8944 0.8923 0.8760 0.8933 0.8974 0.8927 0.8837 0.8776 0.9003 0.9069 0.8974 17.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 1.0000 1.0000 1.0000 1.0000 -0.0982 -0.3094 -0.3345 -0.5217 -0.2511 -0.4150 -0.1227 -0.0440 0.4784 -0.1964 -0.2153 0.0117 -0.1316 -0.1255 0.1326 0.2769 -0.1743 0.0301 -0.2034 -0.1353 0.4951 -0.0959 -0.1229 -0.1194 -0.2869 -0.2379 0.1142 0.0156 -0.2662 0.1005 0.0999 0.0958 0.1024 0.1074 0.0971 0.0968 0.1055 0.1056 0.1109 0.1139 0.0900 0.1076 0.0899 0.1213 0.1203 0.1056 0.1077 0.1240 0.1067 0.1026 0.1073 0.1163 0.1224 0.0997 0.0931 0.1026 1.2069 2.1032 1.9097 2.0118 2.1254 2.0964 3.2114 2.7352 3.5442 3.8624 3.8752 4.0740 4.0168 4.0166 2.9346 4.2662 3.8987 3.0001 3.8559 3.8631 4.3888 3.9308 3.9651 3.9862 3.9087 3.9143 3.8187 3.8029 3.9573 1.0174 1.0189 1.0244 1.0189 1.0162 1.0052 1.0055 1.0130 1.0194 0.9862 0.9915 0.9920 0.9972 0.9910 1.0190 1.0199 0.9947 0.9976 1.0116 1.0042 1.0051 1.0002 0.9912 1.0006 1.0071 1.0047 0.9957 1.2069 2.1032 1.9097 2.0118 2.1254 2.0964 3.2114 2.7352 3.5442 3.8624 3.8752 4.0740 4.0168 4.0166 2.9346 4.2662 3.8987 3.0001 3.8559 3.8631 4.3888 3.9308 3.9651 3.9862 3.9087 3.9143 3.8187 3.8029 3.9573 1.0174 1.0189 1.0244 1.0189 1.0162 1.0052 1.0055 1.0130 1.0194 0.9862 0.9915 0.9920 0.9972 0.9910 1.0190 1.0199 0.9947 0.9976 1.0116 1.0042 1.0051 1.0002 0.9912 1.0006 1.0071 1.0047 0.9957 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.9651 0.9879 1.0796 0.8050 0.9470 -0.1494 1.9499 1.2260 0.8239 2.0020 0.9704 1.2896 0.9211 0.9274 0.9356 0.8579 0.8825 0.9010 0.1018 0.9233 0.9959 0.9953 0.9153 1.0016 0.9927 1.7377 1.0101 1.0014 1.0003 1.0088 0.9829 0.6115 0.9743 0.9811 0.9739 1.2563 1.2522 1.4659 0.9829 1.4529 0.9805 0.9826 0.9770 0.9821 1.3784 0.9836 1.3976 0.9790 0.9992 0.9933 0.9768 0.9879 0.9725 1.0002 0.9683 0.9855 0.9810 0.9878 0.9892 0.9863 0 26 1 11 1 20 2 7 2 21 3 14 3 15 4 20 4 27 5 20 6 8 6 15 6 16 7 12 7 13 8 9 8 10 8 11 9 11 9 12 9 29 9 30 10 13 10 31 10 32 11 14 12 33 12 34 13 35 13 36 14 15 14 17 16 37 16 38 16 39 17 18 17 19 18 22 18 24 19 23 19 25 21 40 21 41 21 42 22 26 22 43 23 26 23 44 24 45 24 46 24 47 25 48 25 49 25 50 27 28 27 51 27 52 28 53 28 54 28 55 -0.037480228 -1762.500843005581 -36.61504 34.51487 -2.10017 -3.84724 2.57640 -1.27084 -10.88529 9.63973 -1.24556 2.75267 6.99673