Orca 4.2.1 RELEASE 1 2 3 4 5 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 F F O N N N 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 1 1 2 3 3 3 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 5 288.1875063999998 AuxInfo=1/0/N:18,21,14,17,11,12,15,16,8,22,19,9,20,10,13,7,2,1,6,5,4,3/E:(5,6)(7,8)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:35FFONN2N2CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHH/rB:;;;s4;;s3;s4s7;s7;s7;s9;s9;s1s10;s10;s11;s12;s13;s14;s4s6;s2s15s16;s17s18;s5s6;s8;s8;s11;s12;s14;s3;s15;s16;s17;s18;s19;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 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 Number of auxiliary basis functions 1221 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 156 Dim 864 ENuc 1810.1759497700 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off 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 LIBINT DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.563e-06 Time for diagonalization 0.389 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.239 sec Total time needed 0.633 sec 9 9 8 7 7 7 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 1 288.1875063999998 AuxInfo=1/0/N:18,21,14,17,11,12,15,16,8,22,19,9,20,10,13,7,2,1,6,5,4,3/E:(5,6)(7,8)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:35FFONN2N2CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHH/rB:;;;s4;;s3;s4s7;s7;s7;s9;s9;s1s10;s10;s11;s12;s13;s14;s4s6;s2s15s16;s17s18;s5s6;s8;s8;s11;s12;s14;s3;s15;s16;s17;s18;s19;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 288.1875063999998 AuxInfo=1/0/N:18,21,14,17,11,12,15,16,8,22,19,9,20,10,13,7,2,1,6,5,4,3/E:(5,6)(7,8)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:35FFONN2N2CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHH/rB:;;;s4;;s3;s4s7;s7;s7;s9;s9;s1s10;s10;s11;s12;s13;s14;s4s6;s2s15s16;s17s18;s5s6;s8;s8;s11;s12;s14;s3;s15;s16;s17;s18;s19;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1056.77714901 1810.17594977 -2866.95309878 -5038.78387919 2171.83078041 -2109.39420718 1052.61705818 2.00395214 77.999836078388 77.999836078388 155.999672156776 -98.593908984729 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -675.1797 -674.7908 -523.4537 -395.2261 -393.4706 -392.3924 -282.3916 -282.2282 -282.1631 -281.7086 -281.3588 -281.1566 -280.4455 -280.2558 -280.2042 -280.1636 -280.1533 -280.1055 -280.0816 -280.0231 -280.0206 -279.9816 -37.0591 -36.7234 -33.3572 -31.6351 -28.3071 -27.2829 -27.0715 -26.5502 -25.0761 -24.1069 -23.9800 -23.8430 -23.3969 -21.4912 -20.5404 -20.4702 -20.1788 -20.0038 -19.5874 -19.1741 -18.3109 -17.9616 -17.8202 -17.5233 -16.8155 -16.6375 -16.2813 -16.1744 -16.1147 -15.9327 -15.8110 -15.5157 -15.1676 -14.9715 -14.8415 -14.5829 -14.4199 -14.1843 -14.0309 -13.7092 -13.3297 -13.1292 -12.9492 -12.8531 -12.7594 -12.3444 -12.1213 -11.5244 -10.9714 -10.6512 -10.5630 -10.1402 -9.7324 -9.6074 -9.4253 -9.1623 1.2167 1.2573 1.4947 1.6810 2.0360 3.1569 3.3480 3.4974 3.7501 3.9923 4.2438 4.3935 4.4226 4.5967 4.7850 4.8101 4.9766 5.0537 5.2023 5.4329 5.6274 5.8144 5.9716 6.0713 6.1247 6.4417 6.5344 6.7782 6.9200 7.1353 7.4222 7.5870 7.6603 7.7292 7.9041 8.0730 8.1580 8.2437 8.4782 8.4997 8.6212 8.7008 8.8848 9.1124 9.2481 9.4193 9.5579 9.7995 9.9401 10.0504 10.2500 10.4671 10.5983 10.6766 10.7959 10.8977 11.0640 11.2390 11.3195 11.4779 11.5953 11.6207 11.6518 11.8403 11.9851 12.2119 12.3088 12.4425 12.4922 12.6966 12.7807 12.8892 12.9501 13.1568 13.2308 13.3170 13.4535 13.6062 13.6840 13.7595 13.9686 14.2020 14.2476 14.4375 14.5683 14.6606 14.7520 14.8247 15.0362 15.2355 15.2813 15.4674 15.5036 15.6246 15.7345 15.7968 15.8271 16.1507 16.2232 16.3894 16.6560 16.7787 16.8722 17.0329 17.2499 17.3299 17.5917 17.8044 18.1652 18.4223 18.5569 18.9861 19.0684 19.3167 19.6297 19.7395 19.8439 19.9817 20.2293 20.3479 20.3788 20.4602 20.6132 20.7187 20.8123 20.9176 21.1995 21.2373 21.3480 21.4983 21.5151 21.6946 21.9718 22.1212 22.3155 22.3560 22.5669 22.7722 23.1513 23.2375 23.3402 23.4242 23.7936 23.9961 24.1960 24.4075 24.6211 24.7500 24.8746 25.1581 25.5542 25.6740 25.7946 25.9111 26.0578 26.2147 26.4310 26.6379 26.8099 26.9943 27.2268 27.5021 27.6815 27.8057 27.9123 28.0962 28.3849 28.4611 28.7741 28.7954 29.0480 29.1554 29.2573 29.5148 29.6660 29.9822 30.1457 30.2149 30.2986 30.5866 30.7930 31.0457 31.1685 31.2327 31.4701 31.8045 31.9898 32.2136 32.5075 32.6392 32.8637 32.9839 33.2121 33.3328 33.4129 33.5483 33.6868 34.0511 34.3085 34.7063 34.8123 34.9689 35.1572 35.4042 35.7606 35.9263 36.0601 36.1081 36.6093 36.8650 36.9665 37.1111 37.1599 37.3450 37.4787 37.5206 37.9015 38.2276 38.4121 38.5143 38.6010 38.6456 38.9657 38.9681 39.1157 39.4764 39.6048 39.7575 39.9516 40.1137 40.3440 40.4993 40.5459 40.6764 40.9983 41.1872 41.5454 41.6610 41.9161 42.1266 42.4009 42.5888 42.6827 42.7275 42.9576 43.1063 43.4091 43.5065 43.5639 43.8435 44.1487 44.3930 44.4641 44.7643 44.8734 45.0880 45.1245 45.2828 45.6892 45.8618 45.9137 46.3838 46.4604 46.6680 46.8636 47.1691 47.4845 47.5868 47.8719 47.9858 48.0954 48.1379 48.4861 48.7901 49.0456 49.0909 49.3183 49.6108 49.7603 50.0007 50.3755 50.5972 51.0405 51.0937 51.2664 51.6455 51.8983 51.9664 52.3707 52.7461 52.8494 53.0485 53.3759 53.7342 54.0720 54.3460 54.4967 55.0090 55.2624 55.6796 56.1445 56.3702 56.6680 56.8667 57.0140 57.3102 57.4535 57.7610 57.9836 58.2250 58.4931 58.6936 58.8311 59.4810 59.7188 59.8753 60.2098 60.2767 60.7499 61.0367 61.2301 61.9592 62.1571 62.3155 62.7475 63.3292 63.5210 63.6333 63.9609 64.5701 64.6437 64.8775 65.0532 65.2112 65.5240 65.6889 65.8162 66.0140 66.4361 66.5445 66.7560 67.1411 67.4853 67.6749 67.9423 68.1729 68.6447 68.7807 69.3854 69.8022 70.0600 70.6320 71.0886 71.2897 71.9610 72.3116 72.7402 73.1781 73.3684 73.6367 73.8482 74.1552 74.3344 74.9227 75.1242 75.3267 75.7664 75.8908 75.9936 76.3804 76.5849 76.6924 76.8945 77.2563 77.3512 77.4649 77.6707 77.9835 78.0725 78.3937 78.7108 78.9035 78.9588 79.1375 79.4372 79.4806 79.7723 79.7898 79.8727 80.2191 80.5395 80.6248 80.8447 80.8818 81.3376 81.4251 81.6473 81.7876 81.9322 82.2273 82.4234 82.6285 82.7480 82.8831 83.0059 83.0370 83.3000 83.3515 83.7500 83.8265 84.1635 84.3033 84.6609 84.7688 84.9461 85.1219 85.1621 85.3415 85.4296 85.7079 85.7977 85.9690 86.1312 86.1993 86.2907 86.4699 86.5963 86.6533 87.1500 87.4520 87.6816 87.7923 87.9343 88.1595 88.3048 88.6301 88.6815 88.8881 89.0697 89.1321 89.2493 89.3147 89.4573 89.6551 89.8413 89.9534 90.0245 90.3419 90.5960 90.7968 90.8835 90.9616 91.2464 91.3367 91.6072 91.7086 92.0483 92.1603 92.2871 92.4752 92.6363 92.8390 93.0634 93.2568 93.3986 93.5620 93.6196 93.8096 94.0441 94.3442 94.5866 94.6262 94.7287 94.8903 95.1961 95.4430 95.6024 95.7820 95.8934 96.0764 96.2431 96.4934 96.6849 97.0029 97.1799 97.2872 97.6460 97.8792 97.9846 98.3988 98.5495 98.8196 98.9090 99.0124 99.1279 99.3844 99.7221 99.8942 100.0940 100.1678 100.3371 101.0590 101.2236 101.3438 101.5249 101.7013 101.8100 101.9292 102.2530 102.3509 102.6426 102.7978 103.0683 103.2677 103.4122 103.7140 103.9009 104.0996 104.2535 104.4991 104.5134 104.8942 105.0305 105.1885 105.4109 105.7124 105.7595 105.9949 106.2176 106.3356 106.4931 106.5298 106.8394 107.0060 107.2023 107.3169 107.4646 107.6385 107.7617 108.1098 108.2148 108.3477 108.7782 109.2712 109.3699 109.6281 109.7108 110.1612 110.3531 110.7018 110.8023 110.9893 111.1905 111.5203 111.5870 111.7580 112.1728 112.3977 112.5825 112.6423 113.0722 113.3083 113.3725 113.8267 113.9160 114.1257 114.2826 114.6354 114.8674 115.0358 115.2252 115.3281 115.7026 116.0937 116.3225 116.7525 116.9619 117.2517 117.4218 117.6622 117.8399 117.9907 118.0580 118.4076 118.5576 118.7407 118.8845 119.0837 119.1856 119.4078 119.5109 119.9120 120.1872 120.3555 120.5045 120.6696 120.7800 121.0572 121.5089 121.7854 121.9497 122.0300 122.5018 122.5934 123.0424 123.1502 123.5072 123.7787 124.3873 124.6394 125.0755 125.5068 125.9120 126.3370 126.6612 126.7526 127.1784 127.6156 127.7571 128.3247 128.3271 129.1018 129.3019 129.4869 129.7544 129.9518 130.3576 130.6803 131.0320 131.2158 131.5879 131.7287 131.9101 131.9403 132.2087 132.3931 132.6271 132.9362 133.5065 133.6039 133.9215 134.0532 134.5094 134.7265 135.2342 135.3219 135.5721 135.8568 136.4927 136.7507 136.9326 137.3299 137.5910 138.0945 138.1740 138.5062 138.7124 139.0041 139.4929 139.7070 139.8460 140.1633 141.2073 141.3254 141.5667 142.0271 142.3936 142.7365 143.0604 143.6502 143.8085 143.8672 144.1948 144.4935 145.3238 145.6854 146.1505 146.2771 146.7609 146.8761 147.3296 147.6276 147.8285 148.2991 148.7002 148.8958 149.3246 149.7556 150.2566 150.6330 150.7708 151.3106 151.5903 151.7307 151.9137 152.5780 153.0487 153.7117 153.9234 154.8102 154.8943 155.0490 155.6615 156.4254 156.9740 157.3541 157.6505 158.0150 158.3080 158.6178 159.2796 159.4597 160.2134 161.0738 161.4005 161.5565 162.0346 162.5120 162.7422 165.0494 166.6548 167.3806 168.2250 169.4031 170.6466 171.1537 172.6879 175.5917 178.1450 180.1353 181.2611 183.3233 185.8330 187.4334 189.0227 189.4040 189.5540 189.8982 190.0288 192.4795 192.9252 193.4902 195.8704 196.1683 196.8770 198.4197 199.4673 200.3099 204.9264 205.6843 206.4121 210.0178 210.5745 212.6146 229.8643 231.5793 235.6376 236.9292 241.1913 241.3039 247.9189 248.4506 248.5381 249.3116 618.9129 620.0218 627.8498 631.6613 632.5022 632.9856 634.9644 635.2890 635.6328 637.3906 638.0743 640.2430 644.2768 648.8285 656.7229 657.3107 879.1863 884.3212 902.9024 1211.2351 1562.9679 1568.4499 -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 F F O N N N 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 -0.222700 -0.202835 -0.376843 0.121971 -0.348140 -0.330788 0.691553 -0.217509 -0.087172 -0.202889 -0.200595 -0.116632 0.188383 -0.125083 -0.179803 -0.177143 -0.171167 -0.167410 0.058341 0.280160 -0.085346 0.087764 0.124804 0.134042 0.127161 0.135051 0.136313 0.208381 0.125715 0.122946 0.125746 0.129545 0.146591 0.131811 0.135775 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 F F O N N N 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 9.2227 9.2028 8.3768 6.8780 7.3481 7.3308 5.3084 6.2175 6.0872 6.2029 6.2006 6.1166 5.8116 6.1251 6.1798 6.1771 6.1712 6.1674 5.9417 5.7198 6.0853 5.9122 0.8752 0.8660 0.8728 0.8649 0.8637 0.7916 0.8743 0.8771 0.8743 0.8705 0.8534 0.8682 0.8642 9.0000 9.0000 8.0000 7.0000 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 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 -0.2227 -0.2028 -0.3768 0.1220 -0.3481 -0.3308 0.6916 -0.2175 -0.0872 -0.2029 -0.2006 -0.1166 0.1884 -0.1251 -0.1798 -0.1771 -0.1712 -0.1674 0.0583 0.2802 -0.0853 0.0878 0.1248 0.1340 0.1272 0.1351 0.1363 0.2084 0.1257 0.1229 0.1257 0.1295 0.1466 0.1318 0.1358 1.0492 1.0859 2.0435 3.3117 2.8787 3.0625 3.4098 3.9377 3.7531 3.5678 4.0328 3.8987 3.9102 3.9608 3.9311 3.9399 4.0325 3.9911 4.0570 3.9847 3.9272 4.0304 1.0117 0.9986 1.0374 1.0075 1.0373 1.0747 1.0075 1.0091 1.0098 1.0034 1.0050 0.9978 0.9997 1.0492 1.0859 2.0435 3.3117 2.8787 3.0625 3.4098 3.9377 3.7531 3.5678 4.0328 3.8987 3.9102 3.9608 3.9311 3.9399 4.0325 3.9911 4.0570 3.9847 3.9272 4.0304 1.0117 0.9986 1.0374 1.0075 1.0373 1.0747 1.0075 1.0091 1.0098 1.0034 1.0050 0.9978 0.9997 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.9593 1.0264 0.9904 0.9501 1.0240 0.9048 1.3229 0.1079 1.5804 1.5972 1.3864 0.8342 0.8998 0.7873 1.0131 0.9738 1.4035 1.3610 1.2777 1.3567 1.4448 0.9354 1.4215 0.9341 1.5114 1.4771 0.9458 1.4158 0.9828 1.4253 0.9834 1.4282 0.9711 1.4225 0.9770 0.9633 0.9719 0.9716 0 12 1 19 2 6 2 27 3 4 3 7 3 18 4 18 4 21 5 18 5 21 6 7 6 8 6 9 7 22 7 23 8 10 8 11 9 12 9 13 10 14 10 24 11 15 11 25 12 16 13 17 13 26 14 19 14 28 15 19 15 29 16 20 16 30 17 20 17 31 18 32 20 33 21 34 -0.018745264 -1056.795894270024 -7.81938 7.72585 -0.09353 1.72420 -1.30432 0.41988 4.59035 -4.74330 -0.15295 0.45656 1.16047