Orca 5.0.3 RELEASE 1 2 3 4 5 15s8p3d2f1g 7s3p2d1f 9s8p7d4f2g 20s14p4d2f1g 15s8p3d2f1g 7s4p3d2f1g 4s3p2d1f 7s5p4d4f2g 9s6p4d2f1g 7s4p3d2f1g 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 C C C C C C H H H H H H H C C H Pd Cl Cl C N N C H H H C H H H H N C C H H H H H H H C H H H 1 1 1 1 1 1 2 2 2 2 2 2 2 1 1 2 3 4 4 1 5 5 1 2 2 2 1 2 2 2 2 5 1 1 2 2 2 2 2 2 2 1 2 2 2 1 Pd ECP Def2-ECP 16 Pd 1 387.4959 AuxInfo=1/1/N:1,5,33,34,23,27,14,4,6,2,3,15,32,22;42,20,21;18;19;17/E:(3,4)(5,6);;;;/CRV:1.3,2.3,7.3,8.3,10.3,11.3;2.2,3.1;;;/rA:45C3C3C3CC3CHHHHHHHC3CHPdClClC2N2NCHHHCHHHHNCCHHHHHHHCHHH/rB:;;s2;s3;s4;s1;s2;s4;s5;s5;s6;s6;s1;s3s6s14;s15;s4;s17;s17;;s17s20;s3;s22;s23;s23;s23;s22;s27;s27;s27;s14;s2;s32;s32;s33;s33;s33;s34;s34;s34;s1;s20;s42;s42;s42;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Method Hartree-Fock(GTOs) RI-approximation to the Coulomb term is turned on functions 1299 RIJ-COSX (HFX calculated with COS-X)) on IntName 33_p_DMA26_qzvpp_chloroform_ccsdt HFTyp RHF Charge 0 Mult 1 NEL 182 Dim 1947 ENuc 2159.9317507543 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) 2.000e-06 Converg. threshold II (energy diff.) 1.000e-09 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 on SOSCFMaxIt 150 SOSCFStart 0.003300 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 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 1 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 Smallest eigenvalue 5.844e-06 Time for diagonalization 0.529 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.369 sec Total time needed 0.909 sec 6 6 6 6 6 6 1 1 1 1 1 1 1 6 6 1 46 17 17 6 7 7 6 1 1 1 6 1 1 1 1 7 6 6 1 1 1 1 1 1 1 6 1 1 1 387.4959 AuxInfo=1/1/N:1,5,33,34,23,27,14,4,6,2,3,15,32,22;42,20,21;18;19;17/E:(3,4)(5,6);;;;/CRV:1.3,2.3,7.3,8.3,10.3,11.3;2.2,3.1;;;/rA:45C3C3C3CC3CHHHHHHHC3CHPdClClC2N2NCHHHCHHHHNCCHHHHHHHCHHH/rB:;;s2;s3;s4;s1;s2;s4;s5;s5;s6;s6;s1;s3s6s14;s15;s4;s17;s17;;s17s20;s3;s22;s23;s23;s23;s22;s27;s27;s27;s14;s2;s32;s32;s33;s33;s33;s34;s34;s34;s1;s20;s42;s42;s42;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0 1 DLPNO-CCSD(T) def2-QZVPP def2/J def2-QZVPP/C RIJCOSX verytightSCF soscf maxcore 4000 %pal nprocs 30 387.4959 AuxInfo=1/1/N:1,5,33,34,23,27,14,4,6,2,3,15,32,22;42,20,21;18;19;17/E:(3,4)(5,6);;;;/CRV:1.3,2.3,7.3,8.3,10.3,11.3;2.2,3.1;;;/rA:45C3C3C3CC3CHHHHHHHC3CHPdClClC2N2NCHHHCHHHHNCCHHHHHHHCHHH/rB:;;s2;s3;s4;s1;s2;s4;s5;s5;s6;s6;s1;s3s6s14;s15;s4;s17;s17;;s17s20;s3;s22;s23;s23;s23;s22;s27;s27;s27;s14;s2;s32;s32;s33;s33;s33;s34;s34;s34;s1;s20;s42;s42;s42;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1754.42867444 2159.93175075 -3914.36042519 -6761.14108626 2846.78066107 -3429.55437578 1675.12570134 2.04734151 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 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2849.8729 -2849.7576 -425.1843 -424.7117 -423.1511 -308.0690 -307.9323 -307.4218 -307.0598 -306.5156 -306.2647 -305.9160 -305.7964 -305.6155 -305.5938 -305.2289 -305.1548 -304.9478 -304.2233 -284.5452 -284.4314 -215.6197 -215.5934 -215.5897 -215.5060 -215.4788 -215.4752 -110.6716 -70.8273 -70.7598 -70.5136 -35.7412 -34.4053 -33.8845 -30.2086 -28.9576 -28.6598 -27.6715 -27.1993 -26.7728 -26.6732 -26.4307 -26.0914 -24.9510 -23.8809 -22.7614 -21.1166 -20.9284 -19.9326 -19.4419 -18.8409 -18.4868 -18.2707 -17.9410 -17.7697 -17.6842 -17.6818 -17.5993 -17.1980 -16.8633 -16.1187 -15.9378 -15.7470 -15.6004 -15.2748 -15.0942 -14.9369 -14.8634 -14.7516 -14.4381 -14.2074 -14.0887 -13.9380 -13.6503 -13.4449 -13.2424 -13.0722 -12.8515 -12.5146 -12.4255 -11.8986 -11.2703 -11.2159 -10.4325 -10.3643 -10.2547 -9.8061 -9.7493 -9.4613 -9.0944 -7.9401 1.7879 2.1967 2.3864 2.7590 2.8449 2.9813 3.1192 3.2697 3.4150 3.4962 3.5740 3.6990 3.7189 3.9173 3.9701 4.0324 4.1548 4.3186 4.3883 4.4864 4.6468 4.7531 4.8257 4.9298 5.0989 5.1689 5.2384 5.3819 5.5999 5.6872 5.6960 5.7679 5.8344 6.0371 6.1325 6.2162 6.3272 6.5075 6.6935 6.7030 6.8342 7.0008 7.1718 7.2449 7.3886 7.4163 7.5645 7.6997 7.8198 8.0185 8.3249 8.4824 8.5377 8.6481 8.8196 8.8331 8.9204 9.0648 9.1733 9.3738 9.4449 9.6403 9.7566 9.9610 10.0137 10.0404 10.2774 10.3455 10.4334 10.5926 10.6224 10.6931 10.8424 10.9326 11.0029 11.1158 11.1593 11.2475 11.3604 11.4190 11.4820 11.6559 11.7868 11.8402 11.9196 11.9461 11.9927 12.0513 12.1323 12.2249 12.3365 12.3828 12.4478 12.5619 12.6714 12.7425 12.9235 12.9924 13.0647 13.1260 13.3000 13.3545 13.4591 13.4929 13.6496 13.7943 13.8013 13.8657 14.0375 14.2117 14.3460 14.4385 14.5533 14.6228 14.6887 14.8726 14.8949 14.9314 15.1057 15.2229 15.2980 15.4677 15.6202 15.7002 15.7753 15.8613 16.0941 16.1939 16.2957 16.5064 16.6468 16.7402 16.7808 16.9239 17.0546 17.2279 17.3875 17.4984 17.5911 17.7484 17.8871 17.9948 18.0915 18.1777 18.2894 18.5029 18.6473 18.7766 18.8961 18.9356 19.1832 19.3222 19.3453 19.4928 19.6386 19.8978 19.9834 20.0192 20.0976 20.2241 20.3849 20.4965 20.5312 20.6177 20.8859 20.9447 21.0392 21.0816 21.1098 21.1856 21.3377 21.5305 21.6080 21.8834 21.9385 22.0263 22.0558 22.1608 22.4156 22.5794 22.6509 22.7765 22.8185 22.9149 22.9921 23.1757 23.2641 23.4572 23.5424 23.6420 23.7890 23.9815 24.0317 24.0941 24.2378 24.3771 24.3992 24.6200 24.7295 24.7585 24.8632 25.0657 25.0881 25.1183 25.3113 25.4417 25.6662 25.7522 25.8114 25.9286 26.0456 26.0962 26.2403 26.3135 26.4889 26.6238 26.7576 26.7929 26.9237 26.9917 27.0594 27.1636 27.2829 27.3365 27.3952 27.4586 27.5749 27.7334 27.7554 27.8646 28.0735 28.1855 28.2999 28.3885 28.5339 28.5734 28.6433 28.6945 28.8283 28.9499 28.9874 29.0894 29.3323 29.3905 29.5574 29.6785 29.7526 29.9620 30.0577 30.1075 30.1827 30.3628 30.3958 30.5540 30.6203 30.7046 30.8675 31.0080 31.1341 31.2930 31.3622 31.4001 31.4663 31.6005 31.6624 31.8818 31.9382 32.0570 32.0921 32.1848 32.2138 32.3350 32.5020 32.5718 32.6489 32.7209 32.9121 32.9691 33.1289 33.2910 33.3574 33.4926 33.5398 33.6323 33.7668 34.0149 34.1029 34.1850 34.2468 34.2953 34.4167 34.6570 34.7693 34.9021 34.9560 35.0918 35.1727 35.3435 35.4645 35.4917 35.6257 35.6910 35.7982 35.8806 36.0889 36.1829 36.2597 36.4088 36.5138 36.6436 36.6956 36.9737 37.0197 37.0986 37.4176 37.5936 37.6571 37.7710 37.9047 38.0858 38.1904 38.3364 38.4318 38.6062 38.7001 38.8344 39.1330 39.1635 39.4460 39.5374 39.6902 39.8870 39.9457 40.1227 40.3340 40.4288 40.4895 40.6892 40.8173 41.0233 41.1394 41.2576 41.2913 41.4383 41.5790 41.7042 41.8260 42.1332 42.2222 42.3381 42.5373 42.6513 42.7189 42.8600 43.0137 43.0552 43.1838 43.3327 43.4216 43.4867 43.7250 43.8229 43.8732 44.0508 44.2267 44.3963 44.4104 44.5575 44.6492 44.6952 44.8466 44.9784 45.0707 45.1222 45.3755 45.4385 45.5527 45.6401 45.8648 46.0410 46.2040 46.2996 46.4112 46.4680 46.7813 46.8090 46.9180 47.0019 47.1304 47.1926 47.3577 47.5850 47.6720 47.6748 47.8276 47.9535 48.2871 48.3139 48.4576 48.5206 48.7687 48.9199 49.0350 49.1357 49.3258 49.4574 49.5494 49.6421 49.8386 49.9508 50.0995 50.1259 50.4793 50.5926 50.6628 50.8220 50.9041 51.1815 51.2207 51.3602 51.6300 51.6755 51.9866 52.2104 52.5227 52.6255 52.7219 52.9606 52.9822 53.0795 53.3099 53.4984 53.7027 53.9982 54.1350 54.2280 54.3538 54.4677 54.6595 54.7613 54.9640 55.0444 55.1074 55.3212 55.5388 55.6924 55.8885 55.8966 56.2226 56.3308 56.4102 56.5664 56.6590 56.8264 57.0654 57.2563 57.3513 57.6082 57.6516 57.7313 57.9009 58.1306 58.2246 58.3973 58.5682 58.7494 58.7552 58.8589 59.0004 59.0921 59.2562 59.4480 59.7029 59.7580 59.9409 59.9671 60.1575 60.2129 60.2798 60.3922 60.4613 60.6183 60.6770 60.8700 60.9461 61.1435 61.2564 61.3825 61.4969 61.5338 61.6454 61.8545 62.0300 62.1066 62.2417 62.3746 62.4629 62.6284 62.7786 62.9745 62.9988 63.1016 63.1425 63.2552 63.4828 63.5317 63.5694 63.6202 63.7533 63.8832 63.9000 64.0548 64.1766 64.3222 64.3922 64.5226 64.7559 64.9633 65.1828 65.2320 65.3105 65.5175 65.7591 65.8188 65.8478 65.9636 66.0761 66.2017 66.2846 66.3971 66.5425 66.7061 66.8559 67.0018 67.1260 67.3098 67.3406 67.4434 67.6297 67.8235 67.9444 68.0860 68.2409 68.2787 68.4594 68.5107 68.6791 68.8882 68.9656 69.0657 69.2930 69.3889 69.5204 69.5939 69.8033 69.8516 69.9900 70.2185 70.3390 70.4363 70.7293 70.8330 70.9765 71.0603 71.1731 71.2247 71.3526 71.5881 71.7137 71.7741 71.8618 71.9829 72.1735 72.2057 72.2523 72.4407 72.6445 72.7477 72.9477 73.1890 73.3368 73.3797 73.5415 73.7226 73.7530 73.8365 73.9581 74.0299 74.3334 74.3412 74.5184 74.6335 74.6772 74.7318 74.8564 74.9381 75.0326 75.3811 75.3981 75.5162 75.6856 75.8538 75.8830 76.1551 76.2919 76.4791 76.5817 76.7723 76.9373 76.9712 77.2262 77.4041 77.5039 77.7059 77.7400 77.8378 77.9136 78.1585 78.2664 78.4329 78.5064 78.6006 78.8101 78.9032 79.0716 79.1574 79.2506 79.3727 79.4519 79.4660 79.5417 79.5702 79.8126 79.8627 80.0861 80.2849 80.3597 80.4605 80.6209 80.7286 80.9219 80.9648 81.0568 81.1672 81.4225 81.6795 81.8445 81.9580 82.0036 82.2371 82.3671 82.4254 82.6558 82.7508 82.8738 83.0959 83.1823 83.2116 83.4542 83.5395 83.6636 83.8051 83.9067 84.0394 84.1694 84.3126 84.4486 84.7244 84.8098 84.9720 84.9882 85.2470 85.3313 85.4671 85.5645 85.7260 85.8023 85.8666 85.9091 86.0120 86.1655 86.3298 86.4072 86.5263 86.6790 86.7759 86.8718 87.0408 87.1894 87.1929 87.4461 87.5125 87.8087 87.9378 88.0341 88.1668 88.3516 88.4400 88.5096 88.7262 88.7700 88.8663 89.0326 89.2061 89.2893 89.4452 89.6413 89.6829 89.7910 89.9844 90.0983 90.2117 90.3310 90.5544 90.7157 90.8092 90.8996 91.0879 91.1206 91.4954 91.6796 91.7803 92.1772 92.3433 92.4825 92.5629 92.6732 92.9086 93.1896 93.2688 93.3850 93.6273 93.6541 93.8821 94.0412 94.1288 94.3732 94.4051 94.5339 94.7482 94.7797 94.9933 95.1484 95.2150 95.4742 95.6483 95.7261 95.8484 95.9298 96.0915 96.1409 96.2999 96.3792 96.5513 96.7087 96.7354 96.9356 97.1195 97.1759 97.3868 97.5077 97.7377 97.8051 97.9529 98.0957 98.2691 98.5341 98.6103 98.6784 98.8458 98.9921 99.3686 99.5246 99.5612 99.6876 99.8857 99.9728 100.2968 100.4116 100.7074 100.7564 100.9070 101.1371 101.2980 101.3246 101.6132 101.8612 101.9153 102.1250 102.1728 102.3324 102.4085 102.4646 102.7024 103.0235 103.1679 103.2282 103.3446 103.7588 103.8353 103.8945 103.9038 104.0046 104.2098 104.3023 104.5160 104.5675 104.7490 104.8499 105.0662 105.1533 105.2782 105.4883 105.5892 105.7135 105.9817 106.0818 106.2258 106.2976 106.3970 106.5602 106.6466 106.9991 107.0449 107.2248 107.3516 107.6144 107.6951 107.7187 107.8476 107.9163 108.1348 108.3408 108.3843 108.5689 108.7125 108.8679 109.0380 109.2302 109.2320 109.4242 109.5333 109.6022 109.8140 109.9739 110.1147 110.2601 110.3910 110.5872 110.7294 110.8638 110.9888 111.1163 111.1887 111.3552 111.5187 111.5968 111.6947 111.7596 111.8468 111.9818 112.0438 112.2326 112.3069 112.3940 112.4107 112.5005 112.6951 113.0541 113.1103 113.1682 113.2983 113.3753 113.5339 113.6336 113.8045 113.8539 114.1501 114.2935 114.5840 114.7406 114.9840 115.1589 115.3150 115.5144 115.5813 115.7625 115.8426 115.9908 116.4413 116.5919 116.7257 117.0089 117.2311 117.2935 117.7135 117.8615 118.0672 118.3426 118.3749 118.5555 118.7077 118.8045 118.9209 119.0563 119.3755 119.5443 119.6414 119.9989 120.3374 120.4645 120.6392 120.8185 120.8671 121.0944 121.2171 121.2990 121.5933 121.8359 122.1037 122.3177 122.4615 122.5857 122.8823 122.9636 123.2331 123.5812 123.7217 123.8703 124.1401 124.2715 124.4692 124.6951 124.9278 125.0991 125.2797 125.4820 125.6414 125.8515 126.0700 126.2679 126.3863 126.8135 127.3905 127.6291 127.9095 128.1439 128.1866 128.3940 128.6822 129.0622 129.0847 129.3170 129.8199 130.2546 130.3368 130.5172 131.0115 131.6873 131.8373 132.2937 132.4671 132.9773 133.3063 133.8861 134.4309 134.6199 134.7252 135.4510 136.0366 136.1392 136.5479 137.0327 137.2452 137.4983 137.9517 137.9692 138.3300 138.6338 138.8291 139.1634 140.0451 140.4297 141.3628 141.8758 142.2633 142.9378 143.6195 144.4158 144.9438 145.5663 145.6005 146.4181 146.7747 147.2239 147.5818 147.6986 147.8991 148.3772 148.5354 148.6397 148.7568 148.9995 149.4463 149.6810 149.9157 150.3933 150.6267 151.0883 151.4325 151.9977 152.2164 152.6125 153.0003 153.6379 153.6840 154.0114 154.1682 154.5221 154.7398 155.0016 155.2897 155.4425 155.5655 155.7277 156.1254 156.3073 156.5667 156.6494 156.9457 157.0397 157.1569 157.4524 157.8060 157.8450 157.9675 158.4309 158.6427 158.6849 159.0374 159.3877 159.5258 159.9121 160.1619 160.1849 160.3121 160.3348 160.9471 161.1737 161.5955 161.9484 162.1746 162.2901 162.5414 163.0720 163.6459 163.8765 163.9435 164.2262 164.3317 164.7106 165.1091 165.2895 165.4559 165.6389 165.8124 165.9588 166.0839 166.3771 166.7369 166.8509 166.9191 167.0047 167.0362 167.0838 167.2071 167.5059 167.6542 167.6985 167.7990 167.9409 168.0620 168.1272 168.2933 168.3465 168.5928 168.7815 168.9004 168.9463 169.0829 169.1183 169.2334 169.3387 169.4453 169.6189 169.7161 169.7989 169.9245 169.9528 170.0319 170.1037 170.3706 170.5285 170.6124 170.7347 170.8425 170.9882 171.0579 171.1893 171.2650 171.3171 171.3663 171.5658 171.6764 171.8622 171.9319 171.9827 172.2794 172.3733 172.6120 172.8852 173.2596 173.4463 173.5172 173.6987 173.9433 174.2715 174.3193 174.3313 174.6909 174.7172 174.8073 174.9376 175.3136 175.4867 175.7044 175.7428 175.8380 176.0673 176.1139 176.3066 176.3858 176.4478 176.6071 176.7416 177.1019 177.1162 177.2372 177.4673 177.5749 177.8169 177.8832 177.9911 178.0791 178.2389 178.3023 178.4105 178.5657 178.6325 178.7617 178.8134 178.8720 179.0448 179.2230 179.4414 179.5329 179.6101 179.8269 180.0017 180.1581 180.1703 180.4526 180.5818 180.8226 180.9392 181.1671 181.2667 181.4586 181.6273 181.6829 181.8103 181.8951 181.9658 182.0052 182.1129 182.2464 182.3822 182.4306 182.7192 182.9106 183.0573 183.1287 183.2524 183.4870 183.5604 183.9171 184.0201 184.2573 184.3265 184.5055 184.7043 184.9539 185.0931 185.2104 185.3595 185.5669 185.6946 186.0321 186.2250 186.5853 186.7031 186.7644 186.8596 186.9665 187.1539 187.3397 187.4155 187.7144 187.9253 188.0028 188.0586 188.2637 188.4269 188.7765 188.8102 189.1156 189.2208 189.3194 189.4811 189.7390 189.9480 190.0059 190.0984 190.2694 190.5246 190.6803 190.7148 190.9771 191.0785 191.4467 191.4878 191.9059 192.0355 192.1505 192.3388 192.4190 192.6045 192.9062 192.9404 193.4044 193.5246 193.7871 193.9284 194.3127 194.5963 194.7137 194.7416 195.0280 195.2267 195.4108 195.4557 195.5607 195.7316 195.9911 196.0520 196.0675 196.2171 196.5361 196.6343 196.7356 196.7775 196.8760 197.1872 197.5578 197.6730 197.7644 197.9551 198.0563 198.2533 198.3090 198.6907 198.9063 199.4647 199.4998 199.7549 199.9254 200.0034 200.0847 200.1507 200.7267 200.8548 200.8815 201.1622 201.2334 201.3877 201.5881 202.1421 202.2431 202.4248 202.7369 203.1262 203.3458 203.7032 204.0219 204.1891 204.3369 204.4447 204.5696 205.4093 205.5997 205.9312 206.2237 206.6145 206.6380 207.0687 207.4644 207.8361 208.1963 208.3186 208.6567 208.8472 209.2599 209.4209 209.4594 209.4905 209.5419 209.6032 209.9681 210.1172 210.2058 210.2271 210.5735 210.6455 210.7911 210.9687 211.1550 211.2914 211.4377 211.7678 212.0171 212.1273 212.2612 212.5028 212.6250 212.6891 212.7974 212.8304 212.8405 213.0391 213.2300 213.4112 213.5509 213.7701 213.9471 214.0078 214.0251 214.2824 214.4790 215.1039 215.3256 215.3949 215.5953 215.8081 216.0669 216.0917 216.2031 216.3265 216.4833 216.6748 216.9055 217.0320 217.0864 217.5450 217.6450 217.6947 217.7388 217.9513 218.0841 218.2002 218.3596 218.4151 218.5834 218.7069 218.9322 219.0365 219.2560 219.3735 219.6133 219.7472 219.8388 219.8724 219.9586 220.1558 220.2022 220.5860 220.7094 220.8764 221.0231 221.0815 221.1691 221.5552 221.6786 221.7434 221.8339 221.9944 222.2012 222.3450 222.4476 222.6323 222.9796 223.0550 223.3449 223.4375 223.5126 223.7201 223.9640 224.3342 224.5814 224.8548 225.0825 225.3387 225.5796 225.8671 225.9737 226.1103 226.1883 226.3584 226.4874 226.6980 226.7852 227.1548 227.3082 227.4732 227.7932 227.9991 228.0526 228.5500 228.5948 228.9486 229.0494 229.3658 229.9186 230.0954 230.4928 230.6268 230.7500 230.8549 231.2121 231.3805 231.5630 231.8086 231.9110 232.0588 232.2791 232.4757 232.7821 232.9668 233.0889 233.2890 233.3183 233.5684 233.8284 233.9490 234.0484 234.1203 234.4028 234.5225 234.6394 234.8564 234.9572 235.2172 235.5170 235.6102 235.8168 235.8296 235.9051 235.9972 236.2292 236.3691 236.4110 236.5241 236.6310 236.6877 236.7554 236.7723 236.9009 236.9743 237.1198 237.2157 237.4454 237.5082 237.7961 237.8750 237.9804 238.2447 238.3085 238.4450 238.6797 238.8325 238.9876 239.3442 239.5038 239.6544 239.7569 239.9045 240.0052 240.2873 240.4688 240.5735 240.6526 240.7075 240.8563 241.0015 241.1474 241.3243 241.4193 241.5176 241.7720 241.8938 241.9707 242.0055 242.1889 242.4603 242.6436 242.7728 242.8725 242.9265 243.1344 243.2500 243.2682 243.3557 243.5313 243.5928 243.6466 243.8627 243.9622 244.1422 244.3591 244.5618 244.7038 244.7705 244.8079 244.9228 245.1891 245.3808 245.4824 245.5528 245.7590 245.9161 246.0765 246.3175 246.3639 246.5537 246.6889 246.7635 247.0068 247.3138 247.4033 247.6110 247.8166 247.9432 248.0714 248.1581 248.2218 248.3365 248.7618 248.8127 249.0212 249.2189 249.3694 249.4946 249.5372 249.7426 249.9577 250.2367 250.3978 250.6829 250.7057 250.9303 251.1047 251.2458 251.6224 251.7181 251.8431 252.1661 252.1974 252.4979 252.8150 252.8530 253.2252 253.3007 253.4185 253.8687 253.9869 254.2942 254.3996 254.5412 254.6329 254.9394 255.1977 255.3011 255.5303 255.8324 256.0886 256.3819 256.5740 256.6761 256.9321 257.2128 257.3513 258.0926 258.2710 258.6417 258.9992 259.1622 259.5696 259.8854 260.0741 260.3044 260.4470 260.6075 260.8542 261.2104 261.2422 261.3741 261.8813 262.1141 262.1275 263.1172 263.4908 263.7182 263.9624 264.7648 264.9897 265.1893 265.2876 265.4110 265.9409 266.9654 267.4330 267.5511 268.0347 269.2210 269.3693 270.2286 270.6843 270.8058 270.8790 271.5523 272.1356 272.3048 272.4808 272.6985 273.4248 273.7676 273.9133 274.1167 274.4970 275.0796 275.5795 275.8678 275.9420 276.0121 276.1318 276.3965 276.6697 277.4004 277.6671 277.9555 278.0080 278.0524 278.1729 278.5959 278.6444 278.7640 279.1922 279.2325 279.3560 279.5531 279.6582 279.9332 280.1161 280.3911 280.5590 280.7348 280.8125 281.1037 281.1489 281.3490 281.5637 281.7012 281.9924 282.0598 282.1164 282.2788 282.5128 282.8093 283.0909 283.1770 283.4842 283.6307 283.9112 284.2835 285.0008 285.4332 285.6114 286.1267 286.3650 286.4984 286.8111 287.0406 287.5262 287.8128 288.3302 288.5681 288.7194 288.8486 289.1547 289.4447 289.6124 289.7948 289.9363 289.9791 290.1078 290.5524 291.2382 291.2848 291.3030 291.6548 292.2529 292.4816 292.6167 292.9567 293.5821 294.3287 294.8417 295.4810 295.5832 296.0043 296.1754 296.5371 296.8217 298.3724 299.1032 299.3363 300.0815 300.5066 301.2409 301.9615 303.0430 304.7145 306.1206 306.2522 307.8271 307.9502 309.3830 309.7363 311.9044 312.4770 312.8728 312.9419 313.3394 314.2167 314.9773 315.5538 315.6336 316.2010 317.1575 318.1368 318.7385 318.8064 319.5016 321.2975 328.1700 328.3059 331.1874 333.1111 334.1303 334.3387 336.8519 337.0413 337.1040 337.7547 340.2827 341.0297 343.2513 344.7495 346.4019 346.8476 347.2826 349.7080 351.2706 352.0409 353.7654 358.0988 365.3038 365.8540 368.6626 369.8127 371.1937 371.3648 372.6535 375.7383 377.2883 377.6004 378.7342 379.9659 381.5513 799.9821 804.0913 810.2731 811.3724 812.9643 813.9849 815.1966 816.5179 816.8615 818.0441 818.6057 818.6658 820.9640 821.1028 823.4955 825.0932 907.0444 1065.2853 1066.4342 1068.1045 1180.9062 1181.1670 1181.4612 1181.7067 1183.0044 1183.0791 2729.1027 2730.0866 2837.7751 4077.5230 4082.0460 4089.0257 4090.2515 4093.1967 4094.5807 4094.9357 4096.0468 4096.7653 4097.2590 4098.7787 4100.6554 4101.6071 4104.0978 5445.3545 5446.6467 5446.9033 14435.4111 14436.9606 -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 C C C C C C H H H H H H H C C H Pd Cl Cl C N N C H H H C H H H H N C C H H H H H H H C H H H -0.280929 0.041342 0.088811 -0.141131 -0.355357 -0.171609 0.114005 0.176621 0.134728 0.108382 0.091486 0.078082 0.108132 -0.171029 0.205402 0.047858 1.350957 -0.698970 -0.715353 0.001475 -0.514406 -0.383026 -0.097230 0.071193 0.082603 0.092280 -0.098419 0.103434 0.088578 0.058509 0.105378 -0.300336 -0.096108 -0.120303 0.102230 0.086257 0.150024 0.104547 0.098024 0.113145 0.112975 -0.189097 0.142330 0.133915 0.140606 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 C C C C C C H H H H H H H C C H Pd Cl Cl C N N C H H H C H H H H N C C H H H H H H H C H H H 0.213913 0.027748 -0.237363 -0.042111 0.182769 0.124688 -0.074359 -0.020030 -0.051138 -0.081870 -0.095796 -0.026415 -0.031246 0.052197 -0.038389 -0.028269 -1.065498 0.097304 0.088803 -0.084868 0.342703 0.358642 0.124599 -0.063194 -0.065019 -0.058106 0.137640 -0.062224 -0.062093 -0.068071 -0.058404 0.429345 0.200798 0.190391 -0.050973 -0.059014 -0.052049 -0.055081 -0.058622 -0.050332 -0.090303 0.258437 -0.032585 -0.033700 -0.032857 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 C C C C C C H H H H H H H C C H Pd Cl Cl C N N C H H H C H H H H N C C H H H H H H H C H H H 6.2809 5.9587 5.9112 6.1411 6.3554 6.1716 0.8860 0.8234 0.8653 0.8916 0.9085 0.9219 0.8919 6.1710 5.7946 0.9521 16.6490 17.6990 17.7154 5.9985 7.5144 7.3830 6.0972 0.9288 0.9174 0.9077 6.0984 0.8966 0.9114 0.9415 0.8946 7.3003 6.0961 6.1203 0.8978 0.9137 0.8500 0.8955 0.9020 0.8869 0.8870 6.1891 0.8577 0.8661 0.8594 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 6.0000 6.0000 1.0000 18.0000 17.0000 17.0000 6.0000 7.0000 7.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 7.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 -0.2809 0.0413 0.0888 -0.1411 -0.3554 -0.1716 0.1140 0.1766 0.1347 0.1084 0.0915 0.0781 0.1081 -0.1710 0.2054 0.0479 1.3510 -0.6990 -0.7154 0.0015 -0.5144 -0.3830 -0.0972 0.0712 0.0826 0.0923 -0.0984 0.1034 0.0886 0.0585 0.1054 -0.3003 -0.0961 -0.1203 0.1022 0.0863 0.1500 0.1045 0.0980 0.1131 0.1130 -0.1891 0.1423 0.1339 0.1406 3.9175 3.6152 3.7336 3.4902 3.8667 3.8281 0.9946 0.9668 0.9439 1.0190 1.0107 1.0046 0.9806 3.7999 3.5101 0.9785 1.0014 0.5970 0.5714 4.2101 2.7763 2.8224 3.8783 0.9975 0.9781 0.9739 3.8784 0.9676 0.9771 0.9927 0.9859 3.1287 3.7688 3.8595 0.9881 0.9692 0.9934 0.9782 0.9729 0.9852 0.9885 3.8511 0.9783 0.9815 0.9799 3.9175 3.6152 3.7336 3.4902 3.8667 3.8281 0.9946 0.9668 0.9439 1.0190 1.0107 1.0046 0.9806 3.7999 3.5101 0.9785 1.0014 0.5970 0.5714 4.2101 2.7763 2.8224 3.8783 0.9975 0.9781 0.9739 3.8784 0.9676 0.9771 0.9927 0.9859 3.1287 3.7688 3.8595 0.9881 0.9692 0.9934 0.9782 0.9729 0.9852 0.9885 3.8511 0.9783 0.9815 0.9799 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.9847 1.9493 0.9749 1.0580 0.9612 1.3856 1.8343 0.8856 1.0310 0.8910 0.9210 0.5910 0.9997 0.9964 0.9949 0.9782 0.9119 0.8840 0.9758 0.9491 0.4873 0.4336 -0.6093 3.2913 0.9629 0.9442 0.9221 0.9807 0.9870 0.9793 0.9780 0.9839 0.9832 0.8598 0.9103 0.9780 0.9763 0.9547 0.9762 0.9776 0.9764 0.9588 0.9604 0.9607 0 6 0 13 0 40 1 3 1 7 1 31 2 4 2 14 2 21 3 5 3 8 3 16 4 9 4 10 5 11 5 12 5 14 13 14 13 30 14 15 16 17 16 18 16 20 19 20 19 41 21 22 21 26 22 23 22 24 22 25 26 27 26 28 26 29 31 32 31 33 32 34 32 35 32 36 33 37 33 38 33 39 41 42 41 43 41 44 -1754.428674261 -1758.854712975 0.013664159 DLPNO BASED -0.194806208 -4.620844921 -1758.854712975 -1759.049519183 -1759.049519182847 137.49587 -138.31253 -0.81666 19.27360 -17.97120 1.30240 9.09622 -8.78919 0.30703 1.56763 3.98459